SCHEMBL7769740

SCHEMBL7769740

CC(c1ccccc1)[C@H]1CC[C@H](CCBr)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IDO1 P14902 2/20 0.36
SIGMAR1 Q99720 1/20 0.35
FFAR1 O14842 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
RIPK1 Q13546 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL1031530 0.85 GAA (0.39) GAAL3MBTL1IDO1SIGMAR1FFAR1
SCHEMBL8483120 0.85 GAA (0.39) GAAL3MBTL1IDO1SIGMAR1FFAR1
SCHEMBL9344765 0.82 MAPT (0.41) GAAL3MBTL1IDO1
SCHEMBL10405701 0.82 IDO1 (0.48) GAAL3MBTL1IDO1ALDH1A1MCOLN3
SCHEMBL16191465 0.81 GAA (0.41) GAAL3MBTL1IDO1SIGMAR1FFAR1
SCHEMBL9346796 0.81 GAA (0.41) GAAL3MBTL1IDO1SIGMAR1FFAR1
SCHEMBL7913831 0.81 GAA (0.36) GAAL3MBTL1IDO1SIGMAR1ALDH1A1
SCHEMBL16191231 0.79 GAA (0.40) GAAL3MBTL1IDO1SIGMAR1FFAR1
SCHEMBL10385269 0.78 FFAR1 (0.44) L3MBTL1SIGMAR1FFAR1
SCHEMBL8451087 0.77 MAOB (0.44) SIGMAR1

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-0727428-B1 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHINETSU CHEMICAL CO (JP) 2001-06-06 EP disclosed
US-5665271-A Silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-09-09 US disclosed
EP-0727428-A1 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-08-21 EP disclosed