SCHEMBL8076415

SCHEMBL8076415

CCCCC[SiH]1CCC(c2ccc(C#N)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SPHK1 Q9NYA1 3/20 0.38
GRM2 Q14416 1/20 0.36
HRH3 Q9Y5N1 4/20 0.35
KCNH2 Q12809 1/20 0.35
CYP2A6 P11509 1/20 0.35
MGLL Q99685 1/20 0.34
USP30 Q70CQ3 1/20 0.34

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
SCHEMBL8076417 1.00 GRIA1 (0.41) GRIA1GRIA2GRIA3TSHRHSD17B10
SCHEMBL8076422 0.99 TSHR (0.42) GRIA1GRIA2GRIA3TSHRHSD17B10
SCHEMBL8084477 0.99 TSHR (0.42) GRIA1GRIA2GRIA3TSHRHSD17B10
SCHEMBL8083751 0.99 TSHR (0.42) GRIA1GRIA2GRIA3TSHRHSD17B10
SCHEMBL8083750 0.99 TSHR (0.42) GRIA1GRIA2GRIA3TSHRHSD17B10
SCHEMBL8076424 0.99 TSHR (0.42) GRIA1GRIA2GRIA3TSHRHSD17B10
SCHEMBL8084479 0.99 TSHR (0.42) GRIA1GRIA2GRIA3TSHRHSD17B10
SCHEMBL8415928 0.90 GRIA1 (0.39) GRIA1GRIA2GRIA3TSHRHSD17B10
SCHEMBL8415930 0.90 GRIA1 (0.39) GRIA1GRIA2GRIA3TSHRHSD17B10
SCHEMBL7771535 0.86 GRIA1 (0.41) GRIA1GRIA2GRIA3TSHRHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673942-B1 Silacyclohexanone compounds as intermediates for the preparation of silacyclohexane-type liquid cristal compounds SHINETSU CHEMICAL CO (JP) 2000-11-08 EP disclosed
US-5868961-A Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-02-09 US disclosed
EP-0632044-B1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHINETSU CHEMICAL CO (JP) 1999-01-27 EP disclosed
US-5641431-A Silacyclohexanone compound and a method of preparing a silacyclohexane-type liquid crystal composition containing it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-06-24 US disclosed
EP-0673942-A1 Silacyclohexanone compounds as intermediates for the preparation of silacyclohexane-type liquid cristal compounds Shin-Etsu Chemical Co., Ltd. (JP) 1995-09-27 EP disclosed
EP-0632044-A1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-01-04 EP disclosed