SCHEMBL8418649

SCHEMBL8418649

Fc1ccc([C@H]2CC[C@H](CCC3CC[SiH](Cl)CC3)CC2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.36
OPRL1 P41146 5/20 0.35
CCR2 P41597 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CNR1 P21554 2/20 0.34
USP30 Q70CQ3 1/20 0.34
USP5 P45974 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CYP2C9 P11712 2/20 0.32
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32
DGAT1 O75907 1/20 0.31
SOAT1 P35610 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
SCHEMBL8418650 1.00 ESR2 (0.36) ESR2OPRL1CCR2HTR2AHTR2C
SCHEMBL8036699 0.86 HTR2A (0.38) CCR2HTR2AHTR2CHTR2BUSP30
SCHEMBL8417346 0.85 ESR2 (0.32) ESR2OPRL1
SCHEMBL8417344 0.85 ESR2 (0.32) ESR2OPRL1
SCHEMBL8419351 0.84 OPRL1 (0.33) ESR2OPRL1
SCHEMBL8419353 0.84 OPRL1 (0.33) ESR2OPRL1
SCHEMBL8977371 0.83 USP5 (0.34) CCR2HTR2AHTR2CHTR2BUSP30
SCHEMBL8415874 0.83 ESR2 (0.42) ESR2OPRL1HTR2ACYP2C9ESR1
SCHEMBL8977367 0.83 USP5 (0.34) CCR2HTR2AHTR2CHTR2BUSP30
SCHEMBL8977362 0.83 USP5 (0.34) CCR2HTR2AHTR2CHTR2BUSP30

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648773-B1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHINETSU CHEMICAL CO (JP) 1999-09-08 EP disclosed
US-5547606-A Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-08-20 US disclosed
EP-0648773-A1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it Shin-Etsu Chemical Co., Ltd. (JP) 1995-04-19 EP disclosed