SCHEMBL9748019

SCHEMBL9748019

C=CCc1ccn(CC=C)c1CC=C

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
SLC2A1 P11166 1/20 0.33
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL11805924 0.73 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL878561 0.73 KDM4E (0.40) GABRA1GABRB2MEN1KMT2A
SCHEMBL9651154 0.72 ALDH1A1 (0.39) GABRA1GABRB2MEN1MAPTKMT2A
SCHEMBL9748012 0.69 ALDH1A1 (0.40) MEN1KMT2A
SCHEMBL11667850 0.65 KDM4E (0.50) MEN1MAPTKMT2A
SCHEMBL1655684 0.65 ALOX5 (0.39) MEN1MAPTKMT2A
SCHEMBL6111306 0.64 ALOX5 (0.49) MEN1MAPTKMT2A
SCHEMBL16553402 0.63 GABRA1 (0.36) GABRA1GABRB2MEN1MAPTKMT2A
SCHEMBL9499567 0.63
SCHEMBL725361 0.63 GABRA1 (0.34) GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0192492-B1 PEPTIDES CONTAINING AN ALIPHATIC-AROMATIC KETONE SIDE CHAIN THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1992-01-02 EP claimed