SCHEMBL7705080

SCHEMBL7705080

Cc1cccc(Cc2ccc(O)c(C(C)(C)C)c2)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
ALOX15 P16050 3/20 0.43
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
HSD17B10 Q99714 2/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
CYP2C9 P11712 1/20 0.43
MIF P14174 1/20 0.43
TYR P14679 1/20 0.43
HTT P42858 1/20 0.43
NFE2L2 Q16236 1/20 0.43
TRPA1 O75762 1/20 0.43
ATM Q13315 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
SCN2A Q99250 2/20 0.39
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 3/20 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
SCHEMBL28340258 0.88 ALDH1A1 (0.43) ALDH1A1ALOX15ESR1ESR2HSD17B10
SCHEMBL7710885 0.84 SCN2A (0.49) ALDH1A1ALOX15HSD17B10LMNACYP2C9
SCHEMBL9804719 0.84 ALDH1A1 (0.46) ALDH1A1ALOX15ESR1ESR2HSD17B10
SCHEMBL11813038 0.83 CA2 (0.48) ALDH1A1ALOX15ESR1ESR2HSD17B10
SCHEMBL3128816 0.83 KEAP1 (0.53) ALDH1A1ALOX15ESR1ESR2HSD17B10
SCHEMBL19792596 0.81 ALDH1A1 (0.46) ALDH1A1ALOX15ESR1ESR2HSD17B10
SCHEMBL7713449 0.81 ESR1 (0.48) ALOX15ESR1ESR2HSD17B10LMNA
SCHEMBL5857645 0.81 HSPA5 (0.58) ALDH1A1ALOX15ESR1ESR2HSD17B10
SCHEMBL3721595 0.80 ALDH1A1 (0.44) ALDH1A1ALOX15ESR1ESR2HSD17B10
SCHEMBL2919862 0.80 ALDH1A1 (0.59) ALDH1A1ALOX15ESR1ESR2HSD17B10

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
US-6365634-B1 CUMYLPHENOL; NONSTEROIDAL ANTIINFLAMMATORY AGENT; FROM PEAT BOG C-P TECHNOLOGY LIMITED PARTNERSHIP 2002-04-02 US disclosed