SCHEMBL11742020

SCHEMBL11742020

CCCCOc1c(C)ccc2[nH]c(C(=O)O)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.44
RXRA P19793 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 3/20 0.43
LMNA P02545 1/20 0.43
SRD5A2 P31213 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PIN1 Q13526 1/20 0.41
CNR2 P34972 1/20 0.40
CYP1A2 P05177 2/20 0.40
HPGD P15428 2/20 0.40
CYP2C9 P11712 1/20 0.40
XDH P47989 1/20 0.39
RHEB Q15382 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39

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
SCHEMBL11737870 0.83 KDM4E (0.49) ALDH1A1KDM4EHSD17B10LMNASRD5A2
SCHEMBL8913109 0.81 SRD5A2 (0.63) ALDH1A1KDM4EHSD17B10LMNASRD5A2
SCHEMBL3099146 0.77 CYP2C19 (0.51) ALDH1A1KDM4EHSD17B10LMNASRD5A2
SCHEMBL12596312 0.77 SRD5A2 (0.66) RXRAALDH1A1KDM4EHSD17B10LMNA
SCHEMBL8544994 0.75 IDO1 (0.47) ALDH1A1KDM4EHSD17B10LMNASRD5A2
SCHEMBL4369016 0.74 PLA2G4A (0.67) PLA2G4AALDH1A1KDM4EHSD17B10LMNA
SCHEMBL3107966 0.74 ALDH1A1 (0.54) ALDH1A1KDM4EHSD17B10LMNASRD5A2
SCHEMBL8911576 0.72 KDM4E (0.53) ALDH1A1KDM4EHSD17B10LMNASRD5A2
SCHEMBL4360657 0.72 PLA2G4A (0.68) PLA2G4AALDH1A1KDM4EHSD17B10SRD5A2
SCHEMBL38660125 0.72 KDM4E (0.54) ALDH1A1KDM4EHSD17B10LMNASRD5A2

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-4060626-A Indole-carboxylic carbon compounds and pharmaceutical compositions containing them BOEHRINGER MANNHEIM G.M.B.H. (DT) 1977-11-29 US disclosed