SCHEMBL9495909

SCHEMBL9495909

CCCOC(=O)c1cc[nH]c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
ALDH1A1 P00352 8/20 0.56
TSHR P16473 3/20 0.56
ESR1 P03372 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
CHRM1 P11229 1/20 0.56
SLC6A2 P23975 1/20 0.56
KDR P35968 1/20 0.56
HPGD P15428 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
STS P08842 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
MAPK1 P28482 2/20 0.45
CYP2D6 P10635 1/20 0.45
NR1H2 P55055 1/20 0.45
RNASEL Q05823 1/20 0.45

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
SCHEMBL9496726 0.90 ESR1 (0.58) LMNAALDH1A1TSHRESR1TDP1
SCHEMBL4524002 0.87 ALDH1A1 (0.59) LMNAALDH1A1TSHRESR1SMN1; SMN2
SCHEMBL29132915 0.85 LMNA (0.42) LMNAALDH1A1TSHRESR1TDP1
SCHEMBL671053 0.85 CA12 (0.53) LMNAALDH1A1TSHRESR1HPGD
Hydrochloric Acid SCHEMBL27813064 0.84 CA12 (0.52) LMNAALDH1A1TSHRESR1HPGD
SCHEMBL29132874 0.83 ESR1 (0.44) LMNAALDH1A1TSHRESR1TDP1
Hydrochloric Acid SCHEMBL2863872 0.81 SERPINE1 (0.38) LMNAALDH1A1TSHRESR1TDP1
SCHEMBL49950 0.78 ALDH1A1 (0.84) LMNAALDH1A1TSHRESR1TDP1
SCHEMBL9212901 0.78 SIRT2 (0.40) LMNAALDH1A1ESR1TDP1SLC6A2
SCHEMBL28758641 0.77 ALDH1A1 (0.81) LMNAALDH1A1TSHRESR1TDP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014202854-A1 METHOD OF PRODUCING FORMIC ACID BY ELECTROCATALYTIC REDUCTION IN THE GASEOUS PHASE OF THE CO2 IFP Energies Nouvelles (FR) 2014-12-24 WO claimed
WO-2014202857-A1 ACTIVE LAYER MADE OF METAL COMPLEXES ON A POROUS CONDUCTIVE SUBSTRATE WITH LARGE SPECIFIC SURFACE AREA, MANUFACTURING METHOD AND USE AS CATHODE FOR ELECTROREDUCTION OF CARBON DIOXIDE IFP Energies Nouvelles (FR) 2014-12-24 WO claimed
WO-2014202857-A1 ACTIVE LAYER MADE OF METAL COMPLEXES ON A POROUS CONDUCTIVE SUBSTRATE WITH LARGE SPECIFIC SURFACE AREA, MANUFACTURING METHOD AND USE AS CATHODE FOR ELECTROREDUCTION OF CARBON DIOXIDE IFP Energies Nouvelles (FR) 2014-12-24 WO disclosed
WO-2014202854-A1 METHOD OF PRODUCING FORMIC ACID BY ELECTROCATALYTIC REDUCTION IN THE GASEOUS PHASE OF THE CO2 IFP Energies Nouvelles (FR) 2014-12-24 WO disclosed
EP-0267794-B1 PROCESS FOR PREPARING POLYOLEFINS Nippon Petrochemicals Co., Ltd. (JP) 1993-05-05 EP disclosed
EP-0267794-A2 Process for preparing polyolefins Nippon Petrochemicals Co., Ltd. (JP) 1988-05-18 EP disclosed
US-4525555-A TITANIUM COMPOUND SUPPORTED ON SOLID REACTION PRODUCT OF MAGNESIUM HALIDE, SILOXANES, ORGANIC COMPOUNDS NIPPON OIL COMPANY, LIMITED (JP) 1985-06-25 US disclosed