SCHEMBL11369342

SCHEMBL11369342

COCCOc1cc(C(=O)O)c(O)c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.62
▸ CASP7 P55210 1/20 0.62
▸ CASP9 P55211 1/20 0.62
▸ HSD17B10 Q99714 3/20 0.51
▸ CYP2C9 P11712 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ THRB P10828 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ ATIC P31939 1/20 0.51
▸ HMGB1 P09429 1/20 0.51
▸ CXCL12 P48061 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ PTK2B Q14289 1/20 0.45

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
SCHEMBL11178216 0.84 CASP3 (0.60) CASP3CASP7CASP9HSD17B10CYP2C9
SCHEMBL10421196 0.84 CASP3 (0.60) CASP3CASP7CASP9HSD17B10CYP2C9
SCHEMBL11504814 0.84 CASP3 (0.75) CASP3CASP7CASP9HSD17B10CYP2C9
SCHEMBL10420445 0.83 CASP3 (0.63) CASP3CASP7CASP9CYP2C9THRB
SCHEMBL10899810 0.83 CASP3 (0.63) CASP3CASP7CASP9CYP2C9THRB
SCHEMBL10420777 0.83 CASP3 (0.63) CASP3CASP7CASP9CYP2C9THRB
SCHEMBL7826675 0.82 CASP3 (0.76) CASP3CASP7CASP9HSD17B10CYP2C9
SCHEMBL11330744 0.81 CASP3 (0.60) CASP3CASP7CASP9HSD17B10CYP2C9
SCHEMBL9020291 0.81 CASP3 (0.71) CASP3CASP7CASP9HSD17B10CYP2C9
SCHEMBL10422130 0.79 CASP3 (0.61) CASP3CASP7CASP9HSD17B10CYP2C9

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-4264722-A A COLORLESS CYAN-COLOR-FORMING COUPLER COMPRISING 4-OXY-DERIVATIVES OF 1-HYDROXY-2-SEC-AMIDO-NAPHTHALENE OR BENZENE FUJI PHOTO FILM CO., LTD. (JP) 1981-04-28 — — US disclosed
Send feedback