SCHEMBL9529503

SCHEMBL9529503

[CH](CCC1CCCCC1)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
ACP3 P15309 2/20 0.41
CNR2 P34972 2/20 0.39
CNR1 P21554 2/20 0.39
ATM Q13315 2/20 0.37
SIGMAR1 Q99720 2/20 0.36
ADAMTS4 O75173 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
APP P05067 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RORC P51449 1/20 0.35
SLC18A2 Q05940 1/20 0.35

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
SCHEMBL8676621 0.84 ALDH1A1 (0.43) BCHEKDM4EMEN1ALDH1A1POLB
SCHEMBL27543142 0.73 KDM1A (0.41) KDM4EMEN1ALDH1A1POLBHPGD
SCHEMBL5830749 0.72 BCHE (0.61) BCHEATMSIGMAR1NPSR1SLC18A2
SCHEMBL8003845 0.72 KDM4E (0.45) KDM4EMEN1ALDH1A1POLBHPGD
SCHEMBL3247866 0.71 ALDH1A1 (0.43) KDM4EMEN1ALDH1A1POLBHPGD
SCHEMBL497987 0.71 KDM1A (0.39) KDM4EALDH1A1POLBSIGMAR1NPSR1
SCHEMBL108120 0.71 CHAT (0.43) KDM4EALDH1A1CNR1
SCHEMBL5477082 0.71 RXRA (0.41) KDM4EALDH1A1TSHRHSD17B10
SCHEMBL7795350 0.70 RXRA (0.43) KDM4EALDH1A1TSHRHSD17B10
SCHEMBL9529506 0.70 BCHE (0.66) BCHEATMSIGMAR1NPSR1SLC18A2

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-0531382-A1 N-SUBSTITUTED-1,2,4-TRIAZOLONE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1993-03-17 EP disclosed