SCHEMBL48404

SCHEMBL48404

CCC(C)Nc1ccc(Cc2ccc(NC(C)CC)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.78
SMN1; SMN2 Q16637 3/20 0.78
L3MBTL1 Q9Y468 3/20 0.78
TSHR P16473 3/20 0.78
CYP3A4 P08684 2/20 0.78
ALOX15 P16050 2/20 0.78
HIF1A Q16665 2/20 0.78
HSD17B10 Q99714 2/20 0.78
TP53 P04637 1/20 0.78
HSP90AA1 P07900 1/20 0.78
THRB P10828 1/20 0.78
CASP1 P29466 1/20 0.78
TDP1 Q9NUW8 1/20 0.78
HPGD P15428 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 2/20 0.40
ALOX12 P18054 1/20 0.40
MAPT P10636 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Ammonia Solution, Strong SCHEMBL10393256 0.98 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2L3MBTL1TSHRCYP3A4
SCHEMBL24570796 0.94 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2L3MBTL1TSHRCYP3A4
SCHEMBL31285780 0.94 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2L3MBTL1TSHRCYP3A4
SCHEMBL10582188 0.92 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2L3MBTL1TSHRCYP3A4
SCHEMBL27905916 0.91 CYP3A4 (0.64) ALDH1A1SMN1; SMN2L3MBTL1TSHRCYP3A4
SCHEMBL49805 0.89 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2L3MBTL1TSHRCYP3A4
SCHEMBL31285782 0.88 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2L3MBTL1TSHRCYP3A4
SCHEMBL22280833 0.88 L3MBTL1 (0.60) ALDH1A1SMN1; SMN2L3MBTL1TSHRCYP3A4
SCHEMBL17845262 0.87 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2L3MBTL1TSHRCYP3A4
SCHEMBL11466441 0.84 ALDH1A1 (0.82) ALDH1A1SMN1; SMN2L3MBTL1TSHRCYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 2005 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025228991-A1 RECYCLABLE POLY(UREA-URETHANE) SYSTEM BASF SE (DE) 2025-11-06 WO claimed
WO-2025228982-A1 PROCESS FOR RECYCLING A COMPOSITION COMPRISING A POLY(UREA-URETHANE) POLYMER WITH HINDERED UREA BONDS BASF SE (DE) 2025-11-06 WO claimed
EP-4638541-A1 RECYCLABLE POLY(UREA-URETHANE) POLYMER AND COMPOSITE WITH DYNAMIC HINDERED UREA BONDS (HUBS) BASF SE (DE) 2025-10-29 EP claimed
US-20250250460-A1 COATING KIT AND METHOD FOR REPAIR AND/OR RECONSTITUTION OF RUBBER AND/OR METAL WORN AREAS BERTECH PANAMA S.A. (PA) 2025-08-07 US claimed
CN-119859347-A Halogen-free flame-retardant packing belt and preparation method thereof 台州唯德包装股份有限公司 2025-04-22 CN claimed
EP-4308518-B1 ISOCYANATE-AMINO-BASED CHEMICAL DOWEL WITH IMPROVED PERFORMANCE AND ITS USE HILTI AG (LI) 2025-01-15 EP claimed
EP-4308520-B1 ISOCYANATE-AMINO-BASED CHEMICAL DOWEL WITH IMPROVED PERFORMANCE AND ITS USE HILTI AG (LI) 2025-01-15 EP claimed
EP-4308519-B1 ISOCYANATE-AMINE-BASED CHEMICAL DOWEL WITH IMPROVED STORAGE STABILITY AND ITS USE HILTI AG (LI) 2025-01-15 EP claimed
US-12195646-B2 Polyurethane adhesive for bonding crosslinked rubber DDP SPECIALTY ELECTRONIC MATERIALS US, LLC (US) 2025-01-14 US claimed
EP-4380990-A1 DUAL-CURE RESIN COMPOSITION COMPRISING URETDIONE-CONTAINING COMPOUND AND ITS USE IN 3D PRINTING BASF SE (DE) 2024-06-12 EP claimed
WO-2000069527-A1 POLYURETHANE GOLF BALL WITH IMPROVED RESILIENCY ACUSHNET COMPANY (US) 2000-11-23 WO claimed
EP-1033380-A1 Polyurethaneurea elastomers for dynamic applications AIR PRODUCTS AND CHEMICALS, INC. (US) 2000-09-06 EP claimed
US-6114488-A Polyurethaneurea elastomers for dynamic applications AIR PRODUCTS AND CHEMICALS, INC. (US) 2000-09-05 US claimed
US-4960620-A PATCHING PAVEMENT USING A MIXTURE OF ISOCYANATE-POLYOL PREPOLYMER, AN AROMATIC N,N'-ALKYL DIAMINE CURING AGENT, A FATTY ACID AND AN ORGANOMETALLIC CATALYST UOP (US) 1990-10-02 US claimed
US-4892563-A ANTIOXIDANT FOR LUBRICANTS, FUELS MOBIL OIL CORPORATION (US) 1990-01-09 US claimed
US-4874831-A Room-temperature-cured polyurethanes and polyureas UOP (US) 1989-10-17 US claimed
US-4783517-A Polyureas as coatings UOP INC. (US) 1988-11-08 US claimed
US-4717492-A OXIDATION RESISTANCE MOBIL OIL CORPORATION (US) 1988-01-05 US claimed
US-4714512-A N,N'-DIALKYLMETHYLENEDIANILINE CURING AGENT UOP INC. (US) 1987-12-22 US claimed
US-4663201-A BIURET CONTAINING UOP INC. (US) 1987-05-05 US claimed