SCHEMBL7974207

SCHEMBL7974207

O=C(O)C1CC1c1c[nH]c(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.41
RXRB P28702 3/20 0.41
RXRG P48443 3/20 0.41
NR4A2 P43354 2/20 0.41
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
FFAR1 O14842 9/20 0.38
HDAC4 P56524 1/20 0.31
CYP4F2 P78329 2/20 0.31
CYP4A11 Q02928 2/20 0.31
LPAR2 Q9HBW0 1/20 0.31
EPHX2 P34913 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL7962818 0.82 EPHX2 (0.38) EPHX2
SCHEMBL6136581 0.81
SCHEMBL6137027 0.76
SCHEMBL6136723 0.76
SCHEMBL1828996 0.70 KDM4E (0.39) ALDH1A1
SCHEMBL6821893 0.68 ALDH1A1 (0.37) HDAC4ALDH1A1
SCHEMBL7962808 0.68 RECQL (0.34)
SCHEMBL20558894 0.68 RXRA (0.47) RXRARXRBRXRGNR4A2RARA
SCHEMBL20558896 0.68 RXRA (0.47) RXRARXRBRXRGNR4A2RARA
SCHEMBL7842985 0.67 AKR1B1 (0.36) NR4A2ALDH1A1

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-2001081317-A1 CHIRAL IMIDAZOYL INTERMEDIATES FOR THE SYNTHESIS OF 2-(4-IMIDAZOYL)-CYCLOPROPYL DERIVATIVES GLIATECH, INC. (US) 2001-11-01 WO disclosed