SCHEMBL14690339

SCHEMBL14690339

C=CC(CCCC)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.44
CTSK P43235 7/20 0.42
CTSL P07711 3/20 0.42
CTSB P07858 3/20 0.42
CTSH P09668 2/20 0.42
CNR2 P34972 1/20 0.41
SIGMAR1 Q99720 5/20 0.40
SLC6A2 P23975 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38
MAOA P21397 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CYP2A6 P11509 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38

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
Hydrochloric Acid SCHEMBL3281124 0.84 CSNK1E (0.42) CSNK1E
SCHEMBL3366397 0.82 TSHR (0.52) CSNK1ECTSKCTSLCTSBCTSH
Ethylene SCHEMBL28202425 0.82 L3MBTL1 (0.39) CSNK1E
SCHEMBL8776678 0.81 TRPA1 (0.46) SIGMAR1SLC6A2TAAR1MAOASLC6A4
SCHEMBL6540268 0.81 EPHX1 (0.37) SIGMAR1SLC6A2TAAR1MAOASLC6A4
SCHEMBL28800383 0.81 CSNK1E (0.43) CSNK1ECTSKCTSLCTSBCTSH
SCHEMBL28537350 0.80 TRPA1 (0.35) CSNK1ESIGMAR1SLC6A2TAAR1MAOA
SCHEMBL28412522 0.79 EPHX1 (0.40) SIGMAR1SLC6A2TAAR1MAOASLC6A4
SCHEMBL6541586 0.78 EPHX1 (0.35) CSNK1ESIGMAR1SLC6A2TAAR1MAOA
SCHEMBL6541327 0.78 EPHX1 (0.35) CSNK1ESIGMAR1SLC6A2TAAR1MAOA

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-8952118-B2 Dual functional linear siloxanes, step-growth polymers derived therefrom, and methods of preparation thereof GELEST TECHNOLOGIES, INC. (US) 2015-02-10 US disclosed
US-20130041098-A1 DUAL FUNCTIONAL LINEAR SILOXANES, STEP-GROWTH POLYMERS DERIVED THEREFROM, AND METHODS OF PREPARATION THEREOF GELEST TECHNOLOGIES, INC. (US) 2013-02-14 US disclosed