SCHEMBL16861302

SCHEMBL16861302

COc1ccc(COc2ccccc2CC(=O)C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 4/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ RXRA P19793 1/20 0.51
▸ MTNR1A P48039 4/20 0.50
▸ MTNR1B P49286 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ DRD2 P14416 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ FFAR1 O14842 1/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL17892024 0.89 ABCB1 (0.66) ABCB1L3MBTL1RXRAMTNR1AMTNR1B
SCHEMBL22193705 0.81 ABCB1 (0.70) ABCB1L3MBTL1RXRANPC1RAB9A
SCHEMBL8965051 0.81 ABCB1 (0.62) ABCB1L3MBTL1MTNR1AMTNR1BNPC1
SCHEMBL7971405 0.79 TAAR1 (0.55) L3MBTL1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30040153 0.79 TAAR1 (0.55) L3MBTL1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL16815580 0.79 ABCB1 (0.60) ABCB1L3MBTL1RXRAMTNR1AMTNR1B
SCHEMBL24041799 0.77 ABCB1 (0.74) ABCB1NPC1RAB9AHTR1ADRD2
SCHEMBL1388037 0.77 RXRA (0.60) ABCB1RXRANPC1RAB9APOLB
SCHEMBL16018989 0.77 ABCB1 (0.68) ABCB1RXRANPC1RAB9AHTR1A
SCHEMBL8677245 0.77 ABCB1 (0.64) ABCB1RXRAMTNR1AMTNR1BNPC1

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
WO-2015097123-A1 NEW THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2015-07-02 — — WO disclosed
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