SCHEMBL797284

SCHEMBL797284

CCCc1cccc2cc3c(CCC)c4cc5c(cc4cc3cc12)C(C)(CCC)C(C(=O)O)=C(C(=O)O)C5(C)CCC

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.33
MTNR1A P48039 7/20 0.31
MTNR1B P49286 2/20 0.31
GPR84 Q9NQS5 1/20 0.30

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
SCHEMBL798576 0.77 LDHA (0.40) MTNR1AMTNR1B
SCHEMBL797382 0.76 LDHA (0.38) RXRA
SCHEMBL797285 0.70 MTNR1A (0.41) MTNR1AMTNR1B
SCHEMBL1307677 0.67 GPR84 (0.43) MTNR1AGPR84
SCHEMBL11747119 0.66 GPR84 (0.42) MTNR1AGPR84
SCHEMBL16267118 0.64 ALDH1A1 (0.53) GPR84
SCHEMBL6735943 0.63 ALDH1A1 (0.44) MTNR1AGPR84
SCHEMBL6883675 0.62 KDM4E (0.56) GPR84
SCHEMBL29941529 0.62 L3MBTL1 (0.47)
Hydrogen Peroxide SCHEMBL28103162 0.61 KDM4E (0.47) MTNR1AMTNR1B

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
EP-1262469-B1 POLYACENE DERIVATIVES AND PRODUCTION THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2012-01-11 EP claimed