SCHEMBL3048626

SCHEMBL3048626

NCCCOc1cccc([SiH](OCCCN)c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
KCNA3 P22001 1/20 0.40
LTA4H P09960 1/20 0.40
PLA2G2A P14555 1/20 0.40
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
C1S P09871 1/20 0.40
PRSS3 P35030 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39

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
SCHEMBL5382089 0.75 KCNA3 (0.54) TAAR1KCNA3LTA4HPLA2G2A
SCHEMBL1320595 0.74 TAAR1 (0.77) TAAR1KCNA3LTA4HPLA2G2A
SCHEMBL13886635 0.74 LTA4H (0.61) TAAR1KCNA3LTA4HPLA2G2ANOS3
SCHEMBL10682119 0.74 LTA4H (0.55) TAAR1KCNA3LTA4HPLA2G2A
Hydrochloric Acid SCHEMBL3541189 0.72 TAAR1 (0.74) TAAR1KCNA3LTA4HPLA2G2A
Bromide SCHEMBL8060174 0.72 TAAR1 (0.74) TAAR1KCNA3LTA4HPLA2G2A
SCHEMBL8060184 0.71 MAOB (0.62) NOS3NOS1NOS2
SCHEMBL499757 0.70 MAOA (0.53) TAAR1
SCHEMBL7236928 0.70 TSHR (0.66) TAAR1LTA4HPRSS1NOS3NOS1
SCHEMBL10679229 0.69 HRH3 (0.56) TAAR1KCNA3LTA4H

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-8198002-B2 Positive photosensitive resin composition CHEIL INDUSTRIES INC. (KR) 2012-06-12 US disclosed
US-20100099043-A1 Positive Photosensitive Resin Composition CHEIL INDUSTRIES INC. 2010-04-22 US disclosed