SCHEMBL22280536

SCHEMBL22280536

CC(C)(c1ccc(C(C)(C)c2ccc(N)c(Cl)c2)cc1)c1ccc(N)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.48
TSHR P16473 7/20 0.48
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 1/20 0.46
ESR2 Q92731 4/20 0.41
ESR1 P03372 4/20 0.41
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
RECQL P46063 2/20 0.39
ALOX15 P16050 2/20 0.39
THRB P10828 1/20 0.39
CASP1 P29466 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 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
SCHEMBL2811051 0.98 TSHR (0.50) CYP3A4TSHRALDH1A1MAPK1ESR2
SCHEMBL11019379 0.92 CNR1 (0.47) CYP3A4TSHRALDH1A1MAPK1ESR2
SCHEMBL22280537 0.90 ESR2 (0.50) CYP3A4TSHRALDH1A1MAPK1ESR2
SCHEMBL25671352 0.88 ESR2 (0.49) CYP3A4TSHRALDH1A1MAPK1ESR2
SCHEMBL2963375 0.84 ALDH1A1 (0.52) CYP3A4TSHRALDH1A1MAPK1ESR2
SCHEMBL30279249 0.84 ALDH1A1 (0.52) CYP3A4TSHRALDH1A1MAPK1ESR2
SCHEMBL9612031 0.83 TSHR (0.48) CYP3A4TSHRALDH1A1MAPK1ESR2
SCHEMBL14307623 0.81 TSHR (0.46) CYP3A4TSHRALDH1A1MAPK1ESR2
SCHEMBL4823779 0.78 NPC1 (0.44) CYP3A4TSHRALDH1A1MAPK1ESR2
SCHEMBL11304152 0.77 TSHR (0.52) CYP3A4TSHRALDH1A1MAPK1ESR2

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

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548976-B2 Glycidyl amine epoxy resins based on AMES negative amines ADITYA BIRLA CHEMICALS (THAILAND) LIMITED (TH) 2023-01-10 US disclosed
US-20200239624-A1 GLYCIDYL AMINE EPOXY RESINS BASED ON AMES NEGATIVE AMINES ADITYA BIRLA CHEMICALS (THAILAND) LIMITED (TH) 2020-07-30 US disclosed