SCHEMBL9510562

SCHEMBL9510562

CC(=O)NCC(C)c1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.49
▸ F13A1 P00488 1/20 0.49
▸ ESR1 P03372 4/20 0.48
▸ ESR2 Q92731 4/20 0.48
▸ NPC1 O15118 2/20 0.44
▸ MTNR1A P48039 3/20 0.44
▸ MTNR1B P49286 3/20 0.44
▸ PDCD1 Q15116 1/20 0.43
▸ CD274 Q9NZQ7 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ THPO P40225 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NMUR2 Q9GZQ4 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HIF1A Q16665 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
SCHEMBL11322693 0.84 ACACB (0.52) ACACBNPC1MTNR1AMTNR1BALDH1A1
SCHEMBL4442263 0.84 ACACB (0.52) ACACBNPC1MTNR1AMTNR1BALDH1A1
SCHEMBL28302050 0.84 ACACB (0.52) ACACBNPC1MTNR1AMTNR1BALDH1A1
SCHEMBL28303465 0.84 ACACB (0.52) ACACBNPC1MTNR1AMTNR1BALDH1A1
SCHEMBL4760955 0.84 ACACB (0.52) ACACBNPC1MTNR1AMTNR1BALDH1A1
SCHEMBL8384291 0.83 MTNR1A (0.60) ACACBNPC1MTNR1AMTNR1BSMN1; SMN2
SCHEMBL8384245 0.83 MTNR1A (0.60) ACACBNPC1MTNR1AMTNR1BSMN1; SMN2
SCHEMBL2091303 0.83 MTNR1A (0.60) ACACBNPC1MTNR1AMTNR1BSMN1; SMN2
SCHEMBL17469083 0.81 NPC1 (0.64) KDM4EF13A1ESR1ESR2NPC1
SCHEMBL9512709 0.81 MTNR1A (0.67) ACACBNPC1MTNR1AMTNR1BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0325245-B1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO (JP) 1993-10-20 — — EP disclosed
EP-0255728-B1 PHENOXYACETIC ACID COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL COMPOSITION AND USE TANABE SEIYAKU CO., LTD. (JP) 1991-11-27 — — EP disclosed
CN-1011780-B PROCESS FOR PRODUCING PHENOXYACETIC ACID DERIVATIVES TANABE SEIYAKU CO (JP) 1991-02-27 — — CN disclosed
US-4948810-A PLATELET AGGREGATION INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 1990-08-14 — — US disclosed
US-4866196-A ANTICOAGULANTS TANABE SEIYAKU CO., LTD. (JP) 1989-09-12 — — US disclosed
CN-87105501-A New phenoxyacetic acid derivative and preparation method thereof and contain its and form as the medicine of activeconstituents — 1988-02-17 — — CN disclosed
EP-0255728-A2 Phenoxyacetic acid compounds, their preparation, pharmaceutical composition and use TANABE SEIYAKU CO., LTD. (JP) 1988-02-10 — — EP disclosed
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