SCHEMBL9467265

SCHEMBL9467265

COc1ccc2c(c1)C(CC(=O)O)C2

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.52
MTNR1B P49286 10/20 0.52
PPARD Q03181 2/20 0.51
NQO2 P16083 6/20 0.49

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
SCHEMBL13938781 0.85 MTNR1A (0.66) MTNR1AMTNR1BPPARDNQO2
SCHEMBL7950050 0.85 MTNR1A (0.66) MTNR1AMTNR1BPPARDNQO2
SCHEMBL8884747 0.83 MTNR1A (0.61) MTNR1AMTNR1BPPARDNQO2
SCHEMBL6641318 0.82 ITGB3 (0.63) MTNR1AMTNR1BPPARD
SCHEMBL503654 0.81 SIGMAR1 (0.57) MTNR1AMTNR1BPPARD
SCHEMBL24650762 0.80 MTNR1A (0.45) MTNR1AMTNR1BPPARDNQO2
SCHEMBL7175871 0.80 PPARD (0.46) MTNR1AMTNR1BPPARD
SCHEMBL3413664 0.79 MTNR1A (0.44) MTNR1AMTNR1BPPARDNQO2
SCHEMBL3408615 0.79 ESR1 (0.45) MTNR1AMTNR1BNQO2
SCHEMBL7172934 0.79 PPARD (0.49) MTNR1AMTNR1BPPARD

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-5194437-A Substituted with oxygen containing heterocycle, central nervous system disorders, neuroendocrine disorders ADIR ET COMPAGNIE (FR) 1993-03-16 US disclosed