SCHEMBL7741227

SCHEMBL7741227

CCC(=CCC(=O)O)c1c(OC)ccc2ccc(OC)cc12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.47
MTNR1B P49286 9/20 0.47
HSD17B10 Q99714 1/20 0.44
PTGS1 P23219 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL11718070 0.77 KDM4E (0.53) MTNR1AMTNR1BHSD17B10KDM4E
SCHEMBL6633664 0.73 MTNR1A (0.62) MTNR1AMTNR1BHSD17B10PTGS1AKR1C3
SCHEMBL11598281 0.71 MTNR1A (0.52) MTNR1AMTNR1BHSD17B10KDM4E
SCHEMBL7741714 0.68 MTNR1A (0.47) MTNR1AMTNR1BHSD17B10PTGS1AKR1C3
SCHEMBL7459894 0.68 KDM4E (0.53) MTNR1AMTNR1BHSD17B10PTGS1AKR1C3
Propionic Acid SCHEMBL7100623 0.68 CYP1A2 (0.68) HSD17B10PTGS1AKR1C3AKR1C2KDM4E
SCHEMBL10388487 0.67 KDM4E (0.56) MTNR1AMTNR1BHSD17B10PTGS1AKR1C3
SCHEMBL6637953 0.67 MTNR1A (0.60) MTNR1AMTNR1BHSD17B10KDM4E
SCHEMBL7456021 0.66 KDM4E (0.58) MTNR1AMTNR1BHSD17B10PTGS1AKR1C3
SCHEMBL30692247 0.65 MTNR1A (0.64) 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