SCHEMBL25596642

SCHEMBL25596642

COC(C)Oc1nccc(C)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.47
EDNRA P25101 1/20 0.47
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
RXRA P19793 8/20 0.37
GRIN1 Q05586 8/20 0.37
GRIN2B Q13224 8/20 0.37
LRRK2 Q5S007 1/20 0.33
NPC1 O15118 1/20 0.32
GRM5 P41594 1/20 0.32
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
GRM8 O00222 1/20 0.31
GRM4 Q14833 1/20 0.31
SORD Q00796 1/20 0.31

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
SCHEMBL12593659 0.84 EDNRB (0.46) EDNRBEDNRAKMT2AMEN1RAB9A
SCHEMBL29370636 0.84 EDNRB (0.46) EDNRBEDNRAKMT2AMEN1RAB9A
SCHEMBL25211129 0.78 RXRA (0.45) EDNRBEDNRAKMT2AMEN1RAB9A
SCHEMBL31174746 0.78 RXRA (0.45) EDNRBEDNRAKMT2AMEN1RAB9A
SCHEMBL1153496 0.77
SCHEMBL30125106 0.77
SCHEMBL23978003 0.77 EDNRB (0.44) EDNRBEDNRAKMT2AMEN1RAB9A
SCHEMBL26705487 0.73 RXRA (0.40) EDNRBEDNRAKMT2AMEN1RAB9A
SCHEMBL7049033 0.71
SCHEMBL8154440 0.69 MAPK8 (0.41) EDNRBEDNRARXRAGRIN1GRIN2B

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
WO-2023078413-A1 FGFR2 INHIBITOR, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 微境生物医药科技(上海)有限公司 2023-05-11 WO disclosed