SCHEMBL11269239

SCHEMBL11269239

CCCn1c(C)c(-c2ccc(OC)cc2)c2cc(OC(C)(C)C(=O)OCC)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 1/20 0.45
CNR2 P34972 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
TSHR P16473 2/20 0.43
PPARA Q07869 2/20 0.43
ABCB11 O95342 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR2A P28223 1/20 0.43
PMP22 Q01453 1/20 0.43
EDNRB P24530 3/20 0.42
PLA2G2A P14555 2/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL11256466 0.91 PPARA (0.56) KMT2AKDM4EHSD17B10PTGDR2TSHR
SCHEMBL11263543 0.90 KDM4E (0.49) KMT2AKDM4EHSD17B10CNR2PTGDR2
SCHEMBL11249243 0.89 PPARA (0.42) KMT2AKDM4EHSD17B10CNR2TSHR
SCHEMBL11255456 0.89 CYP1A2 (0.45) KMT2AKDM4EHSD17B10TSHRPPARA
SCHEMBL11264117 0.86 KDM4E (0.46) KMT2AKDM4EHSD17B10CNR2PTGDR2
SCHEMBL11252371 0.86 GRIK2 (0.56) KMT2AKDM4EHSD17B10TSHRPPARA
SCHEMBL11256650 0.85 PPARA (0.42) KMT2AKDM4EHSD17B10CNR2TSHR
SCHEMBL11263636 0.85 PPARA (0.47) KMT2AKDM4EHSD17B10CNR2TSHR
SCHEMBL11249945 0.84 PPARA (0.52) KMT2AKDM4EHSD17B10CNR2TSHR
SCHEMBL11259223 0.84 PPARA (0.52) KMT2AKDM4EHSD17B10CNR2TSHR

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-4343811-A ATHEROSCLEROSIS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-10 US disclosed