SCHEMBL11481602

SCHEMBL11481602

CC(C#N)c1cccc(Sc2ccccc2CC(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ MMP2 P08253 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP12 P39900 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ AGBL2 Q5U5Z8 1/20 0.44
▸ LMNA P02545 1/20 0.41
▸ CYP2D6 P10635 1/20 0.39
▸ SLC6A2 P23975 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ SLC6A9 P48067 4/20 0.37
▸ CFD P00746 1/20 0.36
▸ F11 P03951 1/20 0.36
▸ TPSB2 P20231 1/20 0.36
▸ AKR1B1 P15121 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL11478885 0.88 CYP2C9 (0.59) CYP2C9CYP2C19HPGDMMP2MMP9
SCHEMBL8163677 0.86 AGBL2 (0.56) CYP2C9CYP2C19HPGDMMP2MMP9
SCHEMBL11475512 0.83 MAPT (0.39) CYP2C9CYP2C19HPGDSMN1; SMN2AGBL2
SCHEMBL11402424 0.80 CYP2C9 (0.51) CYP2C9CYP2C19HPGDMMP2MMP9
SCHEMBL3765157 0.77 HPGD (0.78) CYP2C9CYP2C19HPGDMMP2MMP9
SCHEMBL11475823 0.76 CAMK2A (0.47) LMNACYP2D6CFDF11TPSB2
SCHEMBL11453265 0.74 AGBL2 (0.50) CYP2C9CYP2C19HPGDMMP2MMP9
SCHEMBL11407313 0.74 AGBL2 (0.62) CYP2C9CYP2C19HPGDMMP2MMP9
SCHEMBL11402193 0.74 AGBL2 (0.76) CYP2C9CYP2C19HPGDMMP2MMP9
SCHEMBL7031188 0.74 AGBL2 (0.42) HPGDSMN1; SMN2AGBL2LMNATDP1

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-4205170-A ANTIINFLAMMATORY AGENTS Nippon Chemiphar Company, Limited (JP) 1980-05-27 — — US disclosed
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