SCHEMBL8084479

SCHEMBL8084479

CCCCCCCCC[Si@H]1CC[C@H](c2ccc(C#N)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
SPHK1 Q9NYA1 11/20 0.40
GRM2 Q14416 1/20 0.38
MGLL Q99685 1/20 0.36
SPHK2 Q9NRA0 7/20 0.35

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
SCHEMBL8083751 1.00 TSHR (0.42) TSHRHSD17B10GRIA1GRIA2GRIA3
SCHEMBL8083750 1.00 TSHR (0.42) TSHRHSD17B10GRIA1GRIA2GRIA3
SCHEMBL8084477 1.00 TSHR (0.42) TSHRHSD17B10GRIA1GRIA2GRIA3
SCHEMBL8076424 1.00 TSHR (0.42) TSHRHSD17B10GRIA1GRIA2GRIA3
SCHEMBL8076422 1.00 TSHR (0.42) TSHRHSD17B10GRIA1GRIA2GRIA3
SCHEMBL8076417 0.99 GRIA1 (0.41) TSHRHSD17B10GRIA1GRIA2GRIA3
SCHEMBL8076415 0.99 GRIA1 (0.41) TSHRHSD17B10GRIA1GRIA2GRIA3
SCHEMBL8415930 0.89 GRIA1 (0.39) TSHRHSD17B10GRIA1GRIA2GRIA3
SCHEMBL8415928 0.89 GRIA1 (0.39) TSHRHSD17B10GRIA1GRIA2GRIA3
SCHEMBL7771535 0.84 GRIA1 (0.41) TSHRGRIA1GRIA2GRIA3

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