SCHEMBL10904282

SCHEMBL10904282

CC(C)(C=O)COCC=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
PAM P19021 1/20 0.40
HTR2A P28223 6/20 0.39
SIGMAR1 Q99720 4/20 0.39
HTR2C P28335 3/20 0.39
HTR2B P41595 3/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2012568 0.78 IDO1 (0.45) IDO1PAMHTR2ASIGMAR1HTR2C
SCHEMBL2012572 0.78 IDO1 (0.45) IDO1PAMHTR2ASIGMAR1HTR2C
SCHEMBL10904387 0.77 IDO1 (0.47) IDO1PAMHTR2ASIGMAR1HTR2C
SCHEMBL430935 0.76 IDO1 (0.68) IDO1PAMHTR2ASIGMAR1HTR2C
SCHEMBL7514298 0.76 IDO1 (0.68) IDO1PAMHTR2ASIGMAR1HTR2C
SCHEMBL430934 0.76 IDO1 (0.68) IDO1PAMHTR2ASIGMAR1HTR2C
SCHEMBL8621304 0.76 IDO1 (0.53) IDO1PAMHTR2ASIGMAR1HTR2C
SCHEMBL10902980 0.76 TBXAS1 (0.41) IDO1PAMKMT2A
SCHEMBL1158309 0.73 IDO1 (0.59) IDO1PAMHTR2ASIGMAR1HTR2C
SCHEMBL194630 0.73 IDO1 (0.59) IDO1PAMHTR2ASIGMAR1HTR2C

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-4564476-A Aryl fatty acid leukotriene synthesis inhibitors MCNEILAB, INC. (US) 1986-01-14 US disclosed