SCHEMBL9847756

SCHEMBL9847756

Cc1cc(Oc2ccc(C(=O)O)c(C(=O)O)c2)c(C)c(C)c1Oc1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
POLB P06746 3/20 0.47
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 2/20 0.46
PYGL P06737 9/20 0.44
PYGM P11217 7/20 0.44
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
HPSE Q9Y251 1/20 0.41
PLA2G2A P14555 1/20 0.41
GAA P10253 1/20 0.40
CRHBP P24387 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
CRHR2 Q13324 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
SCHEMBL29260789 0.89 ALDH1A1 (0.50) ALDH1A1POLBTDP1KDM4EPYGL
SCHEMBL28396247 0.84 ALDH1A1 (0.47) ALDH1A1POLBTDP1KDM4EPYGL
SCHEMBL1656305 0.83 ALDH1A1 (0.50) ALDH1A1POLBTDP1KDM4EPYGL
SCHEMBL1656302 0.83 ALDH1A1 (0.53) ALDH1A1POLBTDP1KDM4EPYGL
SCHEMBL9847786 0.82 ALDH1A1 (0.49) ALDH1A1POLBTDP1KDM4EPYGL
SCHEMBL8627947 0.81 POLB (0.51) ALDH1A1POLBTDP1KDM4EPYGL
SCHEMBL10812761 0.80 ALDH1A1 (0.50) ALDH1A1POLBTDP1KDM4EPYGL
SCHEMBL522566 0.80 POLB (0.54) ALDH1A1POLBTDP1KDM4EPYGL
SCHEMBL31152670 0.80 POLB (0.56) ALDH1A1POLBTDP1KDM4EPYGL
SCHEMBL8656957 0.79 ALDH1A1 (0.49) ALDH1A1POLBTDP1KDM4EPYGL

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-0413415-A1 Carboxylic acids and derivates thereof The British Petroleum Company p.l.c. (GB) 1991-02-20 EP disclosed