SCHEMBL20127256

SCHEMBL20127256

C(=Cc1ccccc1)COCOC/C=C/c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.63
HTR2A P28223 6/20 0.47
SIGMAR1 Q99720 5/20 0.47
HTR2C P28335 4/20 0.47
HTR2B P41595 4/20 0.47
PAM P19021 1/20 0.47
DRD2 P14416 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL7254870 1.00 IDO1 (0.63) IDO1HTR2ASIGMAR1HTR2CHTR2B
SCHEMBL7254873 1.00 IDO1 (0.63) IDO1HTR2ASIGMAR1HTR2CHTR2B
SCHEMBL430934 0.91 IDO1 (0.68) IDO1HTR2ASIGMAR1HTR2CHTR2B
SCHEMBL7514298 0.91 IDO1 (0.68) IDO1HTR2ASIGMAR1HTR2CHTR2B
SCHEMBL430935 0.91 IDO1 (0.68) IDO1HTR2ASIGMAR1HTR2CHTR2B
SCHEMBL8734900 0.83 IDO1 (0.59) IDO1HTR2ASIGMAR1HTR2CHTR2B
SCHEMBL15789747 0.83 IDO1 (0.59) IDO1HTR2ASIGMAR1HTR2CHTR2B
SCHEMBL29154660 0.83 IDO1 (0.59) IDO1HTR2ASIGMAR1HTR2CHTR2B
SCHEMBL9320118 0.83 IDO1 (0.59) IDO1HTR2ASIGMAR1HTR2CHTR2B
SCHEMBL194630 0.83 IDO1 (0.59) IDO1HTR2ASIGMAR1HTR2CHTR2B

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-20180127543-A1 ORGANIC FLUORINE COMPOUND AND LUBRICANT SHOWA DENKO K.K. (JP) 2018-05-10 US disclosed