SCHEMBL7741714

SCHEMBL7741714

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.47
MTNR1B P49286 6/20 0.47
HTR2C P28335 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
AKR1C3 P42330 3/20 0.43
AKR1C2 P52895 3/20 0.43
AKR1C1 Q04828 1/20 0.43
PTGS1 P23219 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 0.72 MTNR1A (0.60) MTNR1AMTNR1BHSD17B10ALDH1A1CYP1A2
SCHEMBL11718070 0.71 KDM4E (0.53) MTNR1AMTNR1BHSD17B10ALDH1A1HPGD
SCHEMBL7741711 0.71 MTNR1A (0.59) MTNR1AMTNR1BAKR1C3AKR1C2AKR1C1
SCHEMBL10835932 0.69 GAA (0.41) ALDH1A1
SCHEMBL2689604 0.69 FFAR1 (0.47)
SCHEMBL8020435 0.69 MTNR1A (0.78) MTNR1AMTNR1BHTR2C
SCHEMBL29593962 0.69 MTNR1A (0.78) MTNR1AMTNR1BHTR2C
SCHEMBL6633664 0.68 MTNR1A (0.62) MTNR1AMTNR1BHTR2CHSD17B10ALDH1A1
SCHEMBL7741227 0.68 MTNR1A (0.47) MTNR1AMTNR1BHSD17B10AKR1C3AKR1C2
SCHEMBL27330863 0.68 MTNR1A (0.54) MTNR1AMTNR1BHTR2C

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