SCHEMBL9716080

SCHEMBL9716080

CCO[Si](CC(CCl)Cc1ccccc1)(OCC)OCC

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.35
TAAR1 Q96RJ0 4/20 0.35
SLC6A2 P23975 2/20 0.35
MAOA P21397 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CYP2A6 P11509 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
TRPA1 O75762 2/20 0.34
MMP8 P22894 1/20 0.34
SLC18A2 Q05940 1/20 0.33
CYP2D6 P10635 1/20 0.33
EPHX1 P07099 1/20 0.33
TP53 P04637 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
SCHEMBL28331166 0.77 EPHX1 (0.53) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL9360257 0.76
SCHEMBL11821207 0.75 TRPA1 (0.47) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL9388273 0.74 TAAR1 (0.35) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL27300743 0.74 EPHX1 (0.50) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL2881080 0.73 LMNA (0.33) TAAR1SLC6A2SLC6A4SLC6A3MMP8
SCHEMBL2526801 0.73 TAAR1 (0.37) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL28600481 0.73 TAAR1 (0.34) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL104109 0.73 TP53 (0.44) SIGMAR1TAAR1TP53
Ammonia Solution, Strong SCHEMBL29283276 0.72 EPHX1 (0.48) SIGMAR1TAAR1SLC6A2MAOASLC6A4

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-0477765-A2 Thermoplastic, coupled barrier composites THE B.F. GOODRICH COMPANY (US) 1992-04-01 EP disclosed
US-4146585-A COPOLYMER CONTAINING VINYL CHLORIDE AND HYDROXYALKYL ACRYLATE UNION CARBIDE CORPORATION (US) 1979-03-27 US disclosed
US-4113691-A PHENYLENE ETHER POLYMER UNION CARBIDE CORPORATION (US) 1978-09-12 US disclosed