SCHEMBL8768024

SCHEMBL8768024

Fc1ccc([C@H]2CC[C@H]([C@H]3CC[C@H](CCCC4CCCC4)CC3)CC2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.39
OPRL1 P41146 4/20 0.38
USP30 Q70CQ3 1/20 0.36
USP5 P45974 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ESR1 P03372 5/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
KDM1A O60341 2/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL8767507 0.97 ESR2 (0.39) ESR2OPRL1USP30USP5HDAC6
SCHEMBL8767913 0.94 ESR2 (0.41) ESR2OPRL1USP30USP5HDAC6
SCHEMBL8768354 0.92 ESR2 (0.42) ESR2OPRL1USP30ESR1CYP3A4
SCHEMBL8768361 0.92 ESR2 (0.42) ESR2OPRL1USP30ESR1CYP3A4
SCHEMBL8768382 0.91 ESR2 (0.41) ESR2OPRL1USP30ESR1CYP3A4
SCHEMBL8768372 0.91 ESR2 (0.41) ESR2OPRL1USP30ESR1CYP3A4
SCHEMBL8768472 0.91 OPRL1 (0.39) ESR2OPRL1USP30USP5HDAC6
SCHEMBL8768466 0.91 OPRL1 (0.39) ESR2OPRL1USP30USP5HDAC6
SCHEMBL8768461 0.91 OPRL1 (0.39) ESR2OPRL1USP30USP5HDAC6
SCHEMBL21581476 0.89 ESR2 (0.41) ESR2OPRL1USP30USP5HDAC6

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-0789067-A1 Cyclopentyl derivatives useful as liquid crystals Rolic AG (CH) 1997-08-13 EP disclosed