SCHEMBL9770388

SCHEMBL9770388

Cc1ccc(Oc2ccc(C(=O)O)c(O)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 0.64
MCL1 Q07820 3/20 0.54
CA12 O43570 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
TSHR P16473 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 1/20 0.52
SLC22A12 Q96S37 3/20 0.50
CSNK2A1 P68400 1/20 0.50
CYP1A2 P05177 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 1/20 0.47

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
SCHEMBL9304667 0.90 HTT (0.59) XDHMCL1CYP2C9CYP2C19CYP1A2
SCHEMBL14213143 0.89 ALDH1A1 (0.65) XDHMCL1CA12ALDH1A1CA1
SCHEMBL10596186 0.86 NPC1 (0.61) XDHCA12ALDH1A1CA1CA2
SCHEMBL11230257 0.86 POLB (0.63) XDHMCL1ALDH1A1CYP2C9CYP2C19
SCHEMBL15011374 0.85 XDH (0.67) XDHMCL1CA12ALDH1A1CA1
SCHEMBL26418030 0.85 XDH (0.49) XDHMCL1ALDH1A1CYP2C9CYP2C19
SCHEMBL14998000 0.83 HPGD (0.56) XDHMCL1ALDH1A1CYP2C19CYP1A2
SCHEMBL24407806 0.83 ALDH1A1 (0.53) XDHMCL1CA12ALDH1A1CA1
SCHEMBL24407665 0.83 XDH (0.64) XDHMCL1CA12ALDH1A1CA1
SCHEMBL3294925 0.83 ALDH1A1 (0.65) XDHMCL1CA12ALDH1A1CA1

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-4981836-A Recording material FUJI PHOTO FILM CO., LTD. (JP) 1991-01-01 US disclosed