SCHEMBL7474574

SCHEMBL7474574

C=CC(=O)OCCCCCCc1cc2c(cc1C(=O)O)C(=O)OC2=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.45
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 1/20 0.45
THRB P10828 2/20 0.40
HPGD P15428 1/20 0.36
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 1/20 0.36
THRA P10827 1/20 0.35
HPSE Q9Y251 2/20 0.32
TYMS P04818 1/20 0.32
HTT P42858 1/20 0.31
PTPN11 Q06124 1/20 0.31
LMNA P02545 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA4 P22748 1/20 0.30
CA7 P43166 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
SCHEMBL3266665 0.91 THRB (0.44) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL4653334 0.82 THRB (0.36) TSHRALDH1A1CYP3A4THRBTP53
SCHEMBL7469904 0.81 TSHR (0.42) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL6556703 0.78 TSHR (0.49) TSHRALDH1A1CYP3A4THRBHPGD
SCHEMBL2059836 0.77 POLB (0.41) TSHRTHRBTYMSHTTCA12
SCHEMBL11591571 0.77 CDC25A (0.47) HPSE
SCHEMBL11590953 0.77 CDC25A (0.47) HPSE
SCHEMBL11592002 0.77 CDC25A (0.47) HPSE
SCHEMBL19037330 0.77 HCAR2 (0.37) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL7460840 0.75 ALDH1A1 (0.33) ALDH1A1CYP3A4THRBTP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1197504-A1 THERMOPLASTIC POLYMER HAVING POLAR GROUP, USE THEREOF, AND UNSATURATED COMPOUNDS HAVING POLAR GROUP Mitsui Chemicals, Inc. (JP) 2002-04-17 EP disclosed