SCHEMBL9701928

SCHEMBL9701928

C=C=C(CN)Cc1ccc(O)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
MAPT P10636 4/20 0.53
ALOX15 P16050 4/20 0.53
TDP1 Q9NUW8 3/20 0.53
DRD2 P14416 3/20 0.53
SLC6A2 P23975 3/20 0.53
MAPK1 P28482 3/20 0.53
DRD3 P35462 3/20 0.53
RECQL P46063 3/20 0.53
SLC6A3 Q01959 3/20 0.53
THPO P40225 3/20 0.53
HIF1A Q16665 3/20 0.53
HSD17B10 Q99714 3/20 0.53
ALDH1A1 P00352 3/20 0.53
ADRA2A P08913 2/20 0.53
DRD1 P21728 2/20 0.53
DRD4 P21917 2/20 0.53
DRD5 P21918 2/20 0.53
APEX1 P27695 2/20 0.53
TP53 P04637 2/20 0.53

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
SCHEMBL9702029 0.79 TAAR1 (0.48) KDM4ETDP1SLC6A2ALDH1A1ADRA2A
SCHEMBL10442128 0.76 ACHE (0.38) DRD2DRD1TAAR1BACE1CYP3A4
SCHEMBL9700887 0.74 EGFR (0.39) BACE1
SCHEMBL9701676 0.73 KDM4E (0.56) KDM4EMAPTMAPK1ALDH1A1TAAR1
SCHEMBL9701924 0.73 LOXL2 (0.43) TAAR1HTR2A
Hydrochloric Acid SCHEMBL11493475 0.72 LOXL2 (0.41) TAAR1HTR2A
Dopamine SCHEMBL1059422 0.71 KDM4E (0.91) KDM4EMAPTALOX15TDP1DRD2
SCHEMBL9701911 0.70 TAAR1 (0.35) KDM4EMAPTALOX15TDP1RECQL
SCHEMBL9701941 0.70 TYR (0.47) MAPTALOX15TDP1TP53TSHR
SCHEMBL9701935 0.70 TAAR1 (0.52) KDM4EALOX15ALDH1A1TP53CYP2D6

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