SCHEMBL7510484

SCHEMBL7510484

COc1cccc(C[C@@H](O)CO)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.62
TSHR P16473 1/20 0.61
MAPK1 P28482 1/20 0.61
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
ADRB2 P07550 2/20 0.49
CHRM2 P08172 2/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
CMA1 P23946 1/20 0.46
CYP1A2 P05177 1/20 0.45

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
SCHEMBL7510495 1.00 TAAR1 (0.62) TAAR1TSHRMAPK1IDO1AGXT
SCHEMBL3179539 0.86 TAAR1 (0.62) TAAR1TSHRMAPK1IDO1AGXT
SCHEMBL5794914 0.85 TAAR1 (0.60) TAAR1TSHRMAPK1IDO1AGXT
SCHEMBL27695145 0.85 TAAR1 (0.60) TAAR1TSHRMAPK1IDO1AGXT
SCHEMBL27695134 0.85 TAAR1 (0.60) TAAR1TSHRMAPK1IDO1AGXT
SCHEMBL6224557 0.84 TAAR1 (0.73) TAAR1IDO1AGXTADRB2CHRM2
SCHEMBL14402407 0.83 TAAR1 (0.58) TAAR1TSHRMAPK1IDO1AGXT
SCHEMBL13849891 0.83 TAAR1 (0.58) TAAR1TSHRMAPK1IDO1AGXT
SCHEMBL13849941 0.83 TAAR1 (0.58) TAAR1TSHRMAPK1IDO1AGXT
SCHEMBL24925835 0.83 TAAR1 (0.67) TAAR1TSHRMAPK1IDO1AGXT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0634408-B1 DEPSIPEPTIDE DERIVATIVE, PRODUCTION THEREOF AND USE THEREOF FUJISAWA PHARMACEUTICAL CO (JP) 2002-01-02 EP disclosed
US-5514773-A PARASITICIDES, ANTHELMINTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-07 US disclosed
EP-0634408-A1 DEPSIPEPTIDE DERIVATIVE, PRODUCTION THEREOF AND USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-01-18 EP disclosed