SCHEMBL9702802

SCHEMBL9702802

C=C=C(CN)Cc1ccc(OC)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
APLNR P35414 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CA2 P00918 2/20 0.42
ADRA2A P08913 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL9701904 0.88 ADRA1A (0.58) ADRA1ATAAR1MEN1KMT2AADRA2A
SCHEMBL9702162 0.80 TAAR1 (0.54) TAAR1MEN1KMT2AGAAALDH1A1
SCHEMBL9700886 0.78 CA12 (0.47) ADRA1ATAAR1MEN1KMT2ACA2
SCHEMBL9701935 0.76 TAAR1 (0.52) TAAR1ALDH1A1CYP3A4
SCHEMBL11106092 0.75 APLNR (0.49) ADRA1ATAAR1APLNRMEN1KMT2A
SCHEMBL9701633 0.75 TAAR1 (0.57) TAAR1
SCHEMBL13186651 0.74 APLNR (0.56) ADRA1ATAAR1APLNRMEN1KMT2A
Methyl Alcohol SCHEMBL28318211 0.74 APLNR (0.59) ADRA1ATAAR1APLNRCA2ADRA2A
SCHEMBL3027059 0.74 APLNR (0.59) ADRA1ATAAR1APLNRMEN1KMT2A
SCHEMBL626051 0.74 TAAR1 (0.73) ADRA1ATAAR1APLNR

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