SCHEMBL4590844

SCHEMBL4590844

CCO[Si](OCC)(OCC)C(Cc1ccccc1)C(N)CCN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
SLC6A2 P23975 2/20 0.40
TAAR1 Q96RJ0 2/20 0.40
MAOA P21397 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP2A6 P11509 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CSNK1E P49674 1/20 0.38
EPHX1 P07099 1/20 0.38
CYP2D6 P10635 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
ANPEP P15144 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
SCHEMBL2719458 0.85 ALDH1A1 (0.46) ALDH1A1SLC6A2TAAR1MAOASLC6A4
SCHEMBL16739238 0.82 ANPEP (0.36) ALDH1A1SLC6A2TAAR1MAOASLC6A4
SCHEMBL614548 0.80 ALDH1A1 (0.43) ALDH1A1SLC6A2TAAR1MAOASLC6A4
SCHEMBL2181964 0.79 TAAR1 (0.47) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL4590848 0.79 CYP2D6 (0.47) ALDH1A1SLC6A2TAAR1MAOASLC6A4
SCHEMBL614257 0.77 EPHX1 (0.43) ALDH1A1SLC6A2TAAR1MAOASLC6A4
SCHEMBL340569 0.77 SIGMAR1 (0.46) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL21060575 0.75 SIGMAR1 (0.42) ALDH1A1SLC6A2TAAR1MAOASLC6A4
SCHEMBL28065353 0.71 SIGMAR1 (0.45) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL28417325 0.70 ANPEP (0.41) SLC6A2TAAR1MAOASLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1897685-B1 FLUORORESIN MULTILAYER LAMINATE ASAHI GLASS CO LTD (JP) 2016-10-05 EP disclosed
US-7462396-B2 Multilayer laminate of fluororesin ASAHI GLASS COMPANY, LIMITED (JP) 2008-12-09 US disclosed
US-20080102285-A1 MULTILAYER LAMINATE OF FLUORORESIN ASAHI GLASS CO., LTD. (JP) 2008-05-01 US disclosed
EP-1897685-A1 FLUORORESIN MULTILAYER LAMINATE Asahi Glass Company, Limited (JP) 2008-03-12 EP disclosed