SCHEMBL7741711

SCHEMBL7741711

CCC(CCc1c(OC)ccc2ccc(OC)cc12)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.59
MTNR1B P49286 11/20 0.59
AKR1C3 P42330 3/20 0.46
AKR1C2 P52895 3/20 0.46
AKR1C1 Q04828 1/20 0.46
PTGS1 P23219 1/20 0.46
PPARD Q03181 1/20 0.43
PPARA Q07869 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
SCHEMBL6637953 0.77 MTNR1A (0.60) MTNR1AMTNR1B
SCHEMBL8600249 0.76 MTNR1A (0.60) MTNR1AMTNR1B
SCHEMBL7741712 0.74 MTNR1A (0.60) MTNR1AMTNR1B
SCHEMBL8669796 0.74 MTNR1A (0.63) MTNR1AMTNR1B
SCHEMBL11893016 0.74 MTNR1A (0.58) MTNR1AMTNR1B
SCHEMBL7016797 0.73 MTNR1A (0.77) MTNR1AMTNR1B
SCHEMBL8406900 0.72 MTNR1A (0.57) MTNR1AMTNR1B
SCHEMBL27002090 0.72 HSD17B10 (0.59) PPARDPPARA
SCHEMBL8673938 0.72 MTNR1A (0.52) MTNR1AMTNR1B
SCHEMBL15292203 0.72 MTNR1A (0.56) 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
US-6423870-B1 ANTICOAGULANTS; CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS LES LABORATOIRES SERVIER (FR) 2002-07-23 US disclosed