SCHEMBL11445302

SCHEMBL11445302

Cc1c(CC(=O)OCC(O)CO)cccc1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MLNR O43193 1/20 0.35
ABCB11 O95342 1/20 0.35
CHRM2 P08172 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35
GABRA1 P14867 1/20 0.35

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
SCHEMBL11851384 0.87 CNR2 (0.42) NR4A1LMNANPSR1KDM4EMGLL
SCHEMBL11445019 0.81 NR4A1 (0.44) NR4A1ALDH1A1LMNAMRGPRX4KDM4E
SCHEMBL11772647 0.79 ELANE (0.43) NR4A1TDP1CYP3A4ALDH1A1CYP1A2
SCHEMBL11849611 0.77 CNR2 (0.41) ALDH1A1LMNANPSR1MRGPRX4KDM4E
SCHEMBL11725662 0.77 NR4A1 (0.47) NR4A1CYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL11445975 0.77 NR4A1 (0.51) NR4A1CYP3A4ALDH1A1CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL11725673 0.76 ABCB11 (0.50) NR4A1CYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL11772462 0.76 NR4A1 (0.46) NR4A1ALDH1A1LMNAMRGPRX4KDM4E
SCHEMBL11476925 0.73 ABCB11 (0.51) LMNAABCB11PTGS1PTGS2
SCHEMBL11774717 0.73 LMNA (0.42) NR4A1ALDH1A1LMNAMRGPRX4KDM4E

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-4192890-A Novel benzoylphenylacetic acid esters ROUSSEL UCLAF (FR) 1980-03-11 US claimed
US-4192890-A Novel benzoylphenylacetic acid esters ROUSSEL UCLAF (FR) 1980-03-11 US disclosed