SCHEMBL11218178

SCHEMBL11218178

C=CCn1c(=O)oc2ccc(O)cc21

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MIF P14174 9/20 0.54
CD74 P04233 5/20 0.50
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
IDO1 P14902 4/20 0.42
KMO O15229 1/20 0.42
CYP3A4 P08684 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
SCHEMBL15822467 0.81 MIF (0.42) MIFCD74USP2HPGDTSHR
SCHEMBL16554239 0.78 MIF (0.70) MIFCD74IDO1
SCHEMBL7852057 0.77 CA12 (0.52) MIFCD74HPGDTSHRKMO
SCHEMBL2757854 0.74 MIF (0.70) MIFCD74USP2HPGDTSHR
SCHEMBL14199075 0.74 MIF (0.48) MIFCD74USP2HPGDTSHR
SCHEMBL18805704 0.74 MIF (0.81) MIFCD74IDO1
SCHEMBL9278836 0.73 MIF (0.43) MIFUSP2HPGDTSHRMAPK1
SCHEMBL10621377 0.72 MIF (0.57) MIFCD74IDO1KMO
SCHEMBL15822463 0.72 MIF (0.42) MIFUSP2HPGDTSHRMAPK1
SCHEMBL29566244 0.71 MIF (1.00) MIFCD74USP2HPGDTSHR

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-0026474-B1 COMPOSITION AND PROCESS FOR OXIDATIVE DYEING OF HAIR Wella Aktiengesellschaft (DE) 1983-06-08 EP disclosed