SCHEMBL9701904

SCHEMBL9701904

C=C=C(CN)Cc1cc(OC)ccc1OC

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.58
TAAR1 Q96RJ0 1/20 0.58
HSD17B10 Q99714 1/20 0.55
IDO1 P14902 2/20 0.50
HTR2A P28223 1/20 0.48
AOC3 Q16853 1/20 0.46
ADRA2A P08913 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL9702802 0.88 ADRA1A (0.50) ADRA1ATAAR1HSD17B10ADRA2AMEN1
SCHEMBL9702162 0.80 TAAR1 (0.54) TAAR1IDO1AOC3MEN1KMT2A
SCHEMBL9700886 0.78 CA12 (0.47) ADRA1ATAAR1IDO1ADRA2AMEN1
SCHEMBL9701935 0.76 TAAR1 (0.52) TAAR1IDO1
SCHEMBL9701676 0.76 KDM4E (0.56) TAAR1AOC3MEN1KMT2A
SCHEMBL9701633 0.75 TAAR1 (0.57) TAAR1IDO1AOC3
SCHEMBL11110019 0.75 HSD17B10 (0.56) ADRA1ATAAR1HSD17B10IDO1HTR2A
SCHEMBL4960822 0.74 HSD17B10 (0.69) ADRA1ATAAR1HSD17B10IDO1HTR2A
SCHEMBL479514 0.74 TAAR1 (1.00) ADRA1ATAAR1IDO1HTR2AAOC3
SCHEMBL29491077 0.74 TAAR1 (1.00) ADRA1ATAAR1IDO1HTR2AAOC3

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-5120764-A Administering penicillamine and allenylamines to inhibit crosslinking of collagen MERRELL DOW PHARMACEUTICALS INC. (US) 1992-06-09 US disclosed
EP-0374440-A2 Inhibitors of lysyl oxidase MERRELL DOW PHARMACEUTICALS INC. (US) 1990-06-27 EP disclosed