SCHEMBL9014584

SCHEMBL9014584

CCCC[Sn](CCCC)(CCCC)c1ccc(CCc2ccc(F)c(F)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.38
HTR2A P28223 1/20 0.36
RARB P10826 3/20 0.35
RARA P10276 1/20 0.35
RARG P13631 1/20 0.35
SKP2 Q13309 1/20 0.33
RIPK1 Q13546 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
SCHEMBL9010525 0.85 FFAR1 (0.41)
SCHEMBL18770760 0.80 HTR2A (0.58) HTR2A
SCHEMBL19121747 0.79 SKP2 (0.50) DAOHTR2ARARBRARARARG
SCHEMBL4556641 0.78 ESR1 (0.55) HTR2A
SCHEMBL14402388 0.77 HTR2A (0.53) HTR2ARARBRARARARG
SCHEMBL1983658 0.76 TSHR (0.32)
SCHEMBL19391325 0.75 HTR2A (0.57) HTR2ARARBRARARARG
SCHEMBL18763940 0.75 HTR2A (0.57) HTR2ARARBRARARARG
SCHEMBL26169733 0.75 HTR2A (0.57) HTR2ARARBRARARARG
SCHEMBL1096789 0.75 HTR7 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5582765-A Triflate compounds and process for preparing silacyclohexane-based liquid crystal compounds from the triflate compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-12-10 US disclosed
EP-0700919-A2 Triflate compounds and process for preparing silacyclohexane-based liquid crystal compounds from the triflate compounds Shin-Etsu Chemical Co., Ltd. (JP) 1996-03-13 EP disclosed