SCHEMBL9136179

SCHEMBL9136179

C=CCC[C@H]1CC[C@H](CC[C@H]2CC[C@H]([C@H]3CC[C@H](c4ccc(F)c(F)c4)CC3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.34
USP5 P45974 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CCR2 P41597 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
USP30 Q70CQ3 1/20 0.32
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
OPRL1 P41146 2/20 0.31
CYP2C9 P11712 1/20 0.30
CNR1 P21554 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
SCHEMBL8771239 0.99 ESR2 (0.35) ESR2USP5HDAC6CCR2HTR2A
SCHEMBL6686674 0.99 ESR2 (0.35) ESR2USP5HDAC6CCR2HTR2A
SCHEMBL8771256 0.99 ESR2 (0.35) ESR2USP5HDAC6CCR2HTR2A
SCHEMBL9253959 0.96 ESR2 (0.36) ESR2USP5HDAC6CCR2HTR2A
SCHEMBL9253972 0.96 ESR2 (0.36) ESR2USP5HDAC6CCR2HTR2A
SCHEMBL9253967 0.96 ESR2 (0.36) ESR2USP5HDAC6CCR2HTR2A
SCHEMBL8025427 0.90 CCR2 (0.31) USP5HDAC6CCR2
SCHEMBL8025423 0.90 CCR2 (0.31) USP5HDAC6CCR2
SCHEMBL8025431 0.90 CCR2 (0.31) USP5HDAC6CCR2
SCHEMBL9136412 0.89 ESR2 (0.34) ESR2USP5HDAC6CCR2HTR2A

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-5478497-A For electro-optical purposes HOFFMANN-LA ROCHE INC. (US) 1995-12-26 US disclosed