SCHEMBL8523376

SCHEMBL8523376

CCCCCC(C)c1cc(OC)ccc1/C=C/C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
ATM Q13315 1/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.41
PDE5A O76074 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
PLA2G2D Q9UNK4 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LY96 Q9Y6Y9 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40

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
SCHEMBL8523379 1.00 THRB (0.43) THRBATMMAPTALDH1A1MEN1
SCHEMBL20480680 0.88 CYSLTR2 (0.43) THRBATMMAPTALDH1A1MEN1
SCHEMBL303215 0.87 PLA2G2D (0.42) THRBATMMAPTALDH1A1MEN1
SCHEMBL126602 0.87 PLA2G2D (0.42) THRBATMMAPTALDH1A1MEN1
SCHEMBL7119159 0.85 THRB (0.39) THRBATMMAPTALDH1A1MEN1
SCHEMBL9556877 0.85 THRB (0.40) THRBATMMAPTALDH1A1MEN1
SCHEMBL19183552 0.85 THRB (0.40) THRBATMMAPTALDH1A1MEN1
SCHEMBL7122374 0.82 KDM4E (0.40) THRBATMMAPTALDH1A1MEN1
SCHEMBL490210 0.81 THRB (0.53) THRBATMMAPTALDH1A1MEN1
SCHEMBL490211 0.81 THRB (0.53) THRBATMMAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5989529-A Substantive topical composition SCHERING-PLOUGH HEALTHCARE PRODUCTS, INC. (US) 1999-11-23 US disclosed
US-5247121-A Cosmetics L'OREAL (FR) 1993-09-21 US disclosed
US-5112601-A Cosmetics L'OREAL (FR) 1992-05-12 US disclosed