SCHEMBL9719486

SCHEMBL9719486

NCCC(N)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.45
LTA4H P09960 2/20 0.39
PLA2G2A P14555 1/20 0.39
KIF11 P52732 6/20 0.38
HRH1 P35367 1/20 0.37
KCNH2 Q12809 1/20 0.36
AOC3 Q16853 1/20 0.35
TSHR P16473 1/20 0.35
CYP2A6 P11509 1/20 0.34
HTR2A P28223 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
KCNA3 P22001 1/20 0.34
SLC7A5 Q01650 2/20 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
SCHEMBL7143398 0.82 TAAR1 (0.43) TAAR1LTA4HPLA2G2AKIF11HRH1
SCHEMBL7797664 0.72 KIF11 (0.41) TAAR1LTA4HPLA2G2AKIF11KCNH2
SCHEMBL5527328 0.72 TAAR1 (0.44) TAAR1KIF11KCNH2SMN1; SMN2
SCHEMBL5023485 0.72 KIF11 (0.46) TAAR1KIF11KCNH2SMN1; SMN2SLC7A5
SCHEMBL5675865 0.71 TAAR1 (0.46) TAAR1LTA4HPLA2G2AAOC3TSHR
SCHEMBL28141859 0.70 CA4 (0.42) TAAR1LTA4HTSHRKCNA3
SCHEMBL26528368 0.70 TAAR1 (0.44) TAAR1LTA4HPLA2G2AHRH1AOC3
SCHEMBL692290 0.70 TAAR1 (0.40) TAAR1LTA4HPLA2G2AHRH1AOC3
SCHEMBL9722974 0.69 LTA4H (0.53) TAAR1LTA4HPLA2G2AKIF11HRH1
SCHEMBL3815410 0.69 KIF11 (0.47) TAAR1LTA4HPLA2G2AKIF11KCNH2

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-5147943-A Thermosetting resin; polyimide containing a modifying monoamine alcohol UBE INDUSTRIES, LTD. (JP) 1992-09-15 US disclosed
EP-0379131-A2 Thermosetting resin composition UBE INDUSTRIES, LTD. (JP) 1990-07-25 EP disclosed