SCHEMBL9358563

SCHEMBL9358563

C=CCc1cc(N=O)cc(CC=C)c1O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.40
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
AKR1B1 P15121 1/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.35
ALOX12 P18054 1/20 0.35
SRD5A1 P18405 1/20 0.35
XDH P47989 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 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
SCHEMBL14215923 0.83 GABRA1 (0.59) GABRA1GABRB2KDM4EPOLBKMT2A
SCHEMBL9404582 0.79 GABRA1 (0.42) GABRA1GABRB2KDM4EPOLBKMT2A
SCHEMBL10749042 0.77 GABRA1 (0.45) GABRA1GABRB2KDM4EPOLBKMT2A
SCHEMBL4149652 0.76 GABRA1 (0.59) GABRA1GABRB2KDM4EPOLBKMT2A
SCHEMBL4045452 0.76 GABRA1 (0.48) GABRA1GABRB2KDM4EPOLBKMT2A
SCHEMBL9877225 0.74 GABRA1 (0.46) GABRA1GABRB2ALDH1A1HSD17B10LMNA
SCHEMBL8517508 0.74 GABRA1 (0.47) GABRA1GABRB2KDM4EPOLBKMT2A
SCHEMBL7852200 0.74 GABRA1 (0.47) GABRA1GABRB2KDM4EPOLBKMT2A
SCHEMBL1420217 0.74 GABRA1 (0.47) GABRA1GABRB2KDM4EPOLBKMT2A
SCHEMBL2461750 0.74 XDH (0.48) GABRA1GABRB2KDM4EPOLBKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0386905-B1 Method of bonding vulcanisable elastomer compositions to metals SUMITOMO RUBBER IND (JP) 1994-12-07 EP disclosed
US-4990671-A Method for making aminophenols and their amide derivatives MALLINCKRODT, INC. (US) 1991-02-05 US disclosed
EP-0386905-A2 Method of bonding vulcanisable elastomer compositions to metals SUMITOMO RUBBER INDUSTRIES LIMITED (JP) 1990-09-12 EP disclosed