SCHEMBL9491241

SCHEMBL9491241

CCOc1ccc(C(=O)Oc2ccc([C@H]3CC[C@H](OC(=O)[C@@H](F)[C@@H](C)CC)CC3)cc2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.34
KMT2A Q03164 1/20 0.32
HIF1A Q16665 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
IDO1 P14902 1/20 0.32
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RAB9A P51151 1/20 0.31
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
MRGPRX1 Q96LB2 2/20 0.30
TSPO P30536 1/20 0.30

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
SCHEMBL9491249 1.00 ACACB (0.34) ACACBKMT2AHIF1AESR1ESR2
SCHEMBL9485952 0.94 RAB9A (0.33) ACACBIDO1RAB9A
SCHEMBL9487280 0.94 RAB9A (0.37) IDO1RAB9ATHRB
SCHEMBL9486146 0.93 HPGD (0.35) KMT2AHIF1AIDO1KDM4ESMN1; SMN2
SCHEMBL9486105 0.92 RAB9A (0.36) SMN1; SMN2RAB9ATHRB
SCHEMBL9484845 0.92 RAB9A (0.36) KMT2ASMN1; SMN2RAB9AMAPTTHRB
SCHEMBL9486170 0.92 RAB9A (0.36) KMT2ASMN1; SMN2RAB9AMAPTTHRB
SCHEMBL9484754 0.92 RAB9A (0.36) KMT2ASMN1; SMN2RAB9AMAPTTHRB
SCHEMBL9486091 0.92 RAB9A (0.36) KMT2ASMN1; SMN2RAB9AMAPTTHRB
SCHEMBL9484886 0.92 RAB9A (0.36) KMT2ASMN1; SMN2RAB9AMAPTTHRB

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-0343487-B1 CYCLOHEXYL ESTERS OF ALPHA-FLUORO/CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 1993-01-20 EP disclosed