SCHEMBL9543523

SCHEMBL9543523

C=CCc1c(O)cccc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
PARP1 P09874 1/20 0.40
SRD5A1 P18405 1/20 0.40
LCK P06239 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
G6PD P11413 1/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38
MTNR1A P48039 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
PLA2G2A P14555 1/20 0.37

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
SCHEMBL8754981 0.89 KDM4E (0.47) KDM4EALDH1A1TSHRHSD17B10MAPT
SCHEMBL1325377 0.86 SRD5A1 (0.41) KDM4EALDH1A1TSHRHSD17B10MAPT
SCHEMBL1479090 0.84 ALDH1A1 (0.48) KDM4EALDH1A1TSHRHSD17B10MAPT
SCHEMBL29645124 0.83 THRB (0.42) KDM4EALDH1A1TSHRHSD17B10MAPT
SCHEMBL9419211 0.83 ALDH1A1 (0.45) KDM4EALDH1A1TSHRHSD17B10MAPT
SCHEMBL17694444 0.83 THRB (0.42) KDM4EALDH1A1TSHRHSD17B10MAPT
SCHEMBL8824319 0.83 GABRA1 (0.44) KDM4EALDH1A1TSHRHSD17B10MAPT
SCHEMBL9614734 0.83 KDM4E (0.43) KDM4EALDH1A1TSHRHSD17B10MAPT
SCHEMBL27669490 0.81 MTNR1A (0.40) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL14058648 0.81 KDM4E (0.42) KDM4EALDH1A1TSHRHSD17B10MAPT

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
WO-1993010077-A1 N,N-DI-ALKYL(PHENOXY)BENZAMIDE DERIVATIVES G.D. SEARLE & CO. (US) 1993-05-27 WO disclosed