SCHEMBL27651981

SCHEMBL27651981

Cc1ccc2[nH]cc(C(=O)C=O)c2c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.63
LMNA P02545 2/20 0.63
RAB9A P51151 1/20 0.63
KDM4E B2RXH2 1/20 0.59
HSD17B10 Q99714 1/20 0.59
ALDH1A1 P00352 3/20 0.56
HTT P42858 1/20 0.51
CDK4 P11802 2/20 0.51
CCND1 P24385 2/20 0.51
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
F7 P08709 1/20 0.45
F3 P13726 1/20 0.45
HTR1D P28221 1/20 0.43
HTR2A P28223 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL27984527 0.87 NR4A2 (0.63) NR4A2LMNARAB9AKDM4EHSD17B10
SCHEMBL3976054 0.83 NR4A2 (0.71) NR4A2LMNARAB9AKDM4EHSD17B10
SCHEMBL27811127 0.81 HSD17B10 (0.79) NR4A2LMNARAB9AKDM4EHSD17B10
SCHEMBL16661684 0.81 NR4A2 (0.68) NR4A2LMNARAB9AKDM4EHSD17B10
SCHEMBL27501693 0.81 KDM4E (0.59) KDM4EALDH1A1CDK4CCND1MTNR1A
SCHEMBL27724088 0.81 NR4A2 (0.61) NR4A2
SCHEMBL27723109 0.81 F7 (0.71) NR4A2CDK4CCND1F7F3
SCHEMBL28940822 0.81 HPGD (0.49) NR4A2LMNARAB9AKDM4EALDH1A1
SCHEMBL24906137 0.80 NR4A2 (0.69) NR4A2LMNARAB9AKDM4EHSD17B10
SCHEMBL27545655 0.80 SPR (0.46) NR4A2LMNARAB9AKDM4EHSD17B10

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
CN-1870991-A Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) AVENTIS PHARMA INC (US) 2006-11-29 CN disclosed