SCHEMBL9682849

SCHEMBL9682849

O=C(O)C1CC=Cc2c1ccc1ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
NR4A1 P22736 2/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
WDR5 P61964 1/20 0.37
EPHX1 P07099 1/20 0.36
KDM4E B2RXH2 4/20 0.36
GAA P10253 2/20 0.36
LDHA P00338 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36

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
SCHEMBL10457842 0.78 ALDH1A1 (0.37) CYP1A2HIF1ANR4A1NR4A2NR4A3
SCHEMBL29560738 0.78 ALDH1A1 (0.37) CYP1A2HIF1ANR4A1NR4A2NR4A3
SCHEMBL29913613 0.75 LMNA (0.46) MTNR1AKDM4ETDP1ALDH1A1HSD17B10
SCHEMBL10783887 0.74 KDM4E (0.38) CYP1A2MTNR1AKDM4EGAATDP1
SCHEMBL9302630 0.74 ALDH1A1 (0.37) CYP1A2CYP2C9CYP2C19HIF1AMTNR1A
SCHEMBL21283608 0.74 KDM1A (0.43) HIF1AMTNR1AKDM4EGAATDP1
SCHEMBL4960740 0.74 ALDH1A1 (0.37) CYP1A2HIF1AMTNR1AKDM4ETDP1
SCHEMBL28246731 0.74 ALDH1A1 (0.37) CYP1A2HIF1AMTNR1AKDM4ETDP1
SCHEMBL2576862 0.74 ALDH1A1 (0.38) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL27657807 0.73 MTNR1A (0.35) MTNR1AMTNR1BKDM4EGAAALDH1A1

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
US-5141934-A Nervous system disorders WARNER-LAMBERT COMPANY (US) 1992-08-25 US disclosed