SCHEMBL9503992

SCHEMBL9503992

C=CC(=O)OCCCCc1ccccc1[C](O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.54
TSHR P16473 7/20 0.50
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 3/20 0.50
THRA P10827 1/20 0.46
HPGD P15428 1/20 0.42
TP53 P04637 3/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 1/20 0.42
FOLH1 Q04609 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
SLC16A3 O15427 2/20 0.38

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
SCHEMBL30996364 0.90 THRB (0.55) THRBTSHRALDH1A1CYP3A4THRA
SCHEMBL29832615 0.87 THRB (0.49) THRBTSHRALDH1A1CYP3A4THRA
SCHEMBL2320528 0.84 THRB (0.58) THRBTSHRALDH1A1CYP3A4THRA
SCHEMBL7174978 0.82 TSHR (0.53) THRBTSHRALDH1A1CYP3A4THRA
SCHEMBL29507099 0.82 THRB (0.47) THRBTSHRALDH1A1CYP3A4THRA
SCHEMBL29315422 0.82 THRB (0.52) THRBTSHRALDH1A1CYP3A4THRA
SCHEMBL29067272 0.81 TSHR (0.51) THRBTSHRALDH1A1CYP3A4THRA
SCHEMBL27715806 0.81 TSHR (0.51) THRBTSHRALDH1A1CYP3A4THRA
SCHEMBL27715829 0.81 THRB (0.57) THRBTSHRALDH1A1CYP3A4THRA
SCHEMBL29315429 0.81 TSHR (0.51) THRBTSHRALDH1A1CYP3A4THRA

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
EP-0367054-B1 UV CROSSLINKABLE COMPOSITION BASED ON COPOLYMERS OF ISOAMYL (METH)ACRYLATES BASF Aktiengesellschaft (DE) 1993-06-23 EP claimed
EP-0367054-A2 UV crosslinkable composition based on copolymers of isoamyl (meth)acrylates BASF Aktiengesellschaft (DE) 1990-05-09 EP claimed