SCHEMBL9701879

SCHEMBL9701879

C=C=C(CN)c1cc(OC)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ADRA1A P35348 3/20 0.46
ADRA2A P08913 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
RAD52 P43351 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL9701621 0.88 ALDH1A1 (0.57) MAPTHTTADRA1AADRA2AALDH1A1
SCHEMBL9701649 0.79 CTSD (0.49) MAPTHTTALDH1A1HPGDTAAR1
SCHEMBL2205896 0.76 HTT (0.60) MAPTHTTNPSR1ADRA1AADRA2A
SCHEMBL29584738 0.76 HTT (0.60) MAPTHTTNPSR1ADRA1AADRA2A
SCHEMBL9703287 0.75 CA1 (0.46) MAPTALDH1A1CA1CA2
SCHEMBL9701949 0.74 MAOB (0.54) MAPTALDH1A1HPGDCA12CA1
SCHEMBL11110902 0.73 MAPT (0.49) MAPTHTTNPSR1ADRA1AADRA2A
SCHEMBL9701899 0.73 PARP1 (0.51) MAPTNPSR1ALDH1A1TAAR1MEN1
SCHEMBL9701904 0.73 ADRA1A (0.58) ADRA1AADRA2ATAAR1MEN1KMT2A
SCHEMBL9700886 0.72 CA12 (0.47) MAPTHTTADRA1AADRA2AALDH1A1

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