SCHEMBL7741222

SCHEMBL7741222

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

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.57
MTNR1B P49286 3/20 0.57
AKR1C3 P42330 7/20 0.48
AKR1C2 P52895 7/20 0.48
PTGS1 P23219 4/20 0.48
AKR1C1 Q04828 1/20 0.48
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
PTGS2 P35354 3/20 0.42
CDC42 P60953 1/20 0.42
RAC1 P63000 1/20 0.42
TSHR P16473 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL7741232 1.00 MTNR1A (0.57) MTNR1AMTNR1BAKR1C3AKR1C2PTGS1
SCHEMBL6633664 0.78 MTNR1A (0.62) MTNR1AMTNR1BAKR1C3AKR1C2PTGS1
SCHEMBL7741225 0.74 MTNR1A (0.57) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C9
SCHEMBL5227187 0.72 MTNR1A (0.59) MTNR1AMTNR1BCYP1A2CYP2C9CYP2C19
SCHEMBL7741711 0.70 MTNR1A (0.59) MTNR1AMTNR1BAKR1C3AKR1C2PTGS1
SCHEMBL8669796 0.68 MTNR1A (0.63) MTNR1AMTNR1B
SCHEMBL11718070 0.68 KDM4E (0.53) MTNR1AMTNR1BHSD17B10
SCHEMBL7741714 0.68 MTNR1A (0.47) MTNR1AMTNR1BAKR1C3AKR1C2PTGS1
SCHEMBL8673938 0.67 MTNR1A (0.52) MTNR1AMTNR1B
SCHEMBL12804630 0.66 MTNR1A (0.61) MTNR1AMTNR1BAKR1C3AKR1C2PTGS1

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