SCHEMBL5801988

SCHEMBL5801988

C=C(CC(O)COC(=O)C(C)=CC)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
USP2 O75604 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3095132 0.86 TET2 (0.39) TSHRALDH1A1CYP2D6CYP2C19USP2
SCHEMBL28343113 0.85 TSHR (0.52) TSHRALDH1A1
SCHEMBL21693873 0.79 TSHR (0.49) TSHRALDH1A1USP2CYP3A4MAPT
SCHEMBL28091950 0.78 ALDH1A1 (0.38) TSHRALDH1A1MAPT
SCHEMBL2690385 0.77
SCHEMBL10485912 0.76 ALDH1A1 (0.30) ALDH1A1
SCHEMBL14945 0.74 LMNA (0.43) TSHRALDH1A1USP2CYP3A4MAPT
SCHEMBL1437851 0.73 CA1 (0.47) TSHRALDH1A1USP2CYP3A4MAPT
SCHEMBL27606246 0.73 TSHR (0.34) TSHRALDH1A1USP2CYP3A4MAPT
SCHEMBL17074063 0.72 TSHR (0.52) TSHRALDH1A1CYP2D6CYP2C19USP2

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-5776497-A OXIDATIVE POLYMERIZATION OF INDOLINE FOR COSMETICS L'OREAL (FR) 1998-07-07 US claimed
WO-2006057008-A2 PROCESS FOR NITRATION OF MACROMOLECULES INDIAN INSTITUTE OF TECHNOLOGY, KANPUR (IN) 2006-06-01 WO disclosed