SCHEMBL9512709

SCHEMBL9512709

COc1ccc(C(C)CNC(C)=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.67
MTNR1B P49286 12/20 0.67
ACACB O00763 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TRPV1 Q8NER1 1/20 0.49
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL8581724 0.83 AOC3 (0.63) MTNR1AMTNR1BACACBSMN1; SMN2NPC1
SCHEMBL9513697 0.83 ACACB (0.61) MTNR1AMTNR1BACACBSMN1; SMN2MEN1
SCHEMBL981303 0.83 MTNR1A (0.51) MTNR1AMTNR1BACACBSMN1; SMN2TRPV1
SCHEMBL5804284 0.83 MEN1 (0.50) MTNR1AMTNR1BACACBSMN1; SMN2MEN1
SCHEMBL9765333 0.81 ALDH1A1 (0.66) MTNR1AMTNR1BACACBSMN1; SMN2MEN1
SCHEMBL9510562 0.81 ACACB (0.54) MTNR1AMTNR1BACACBSMN1; SMN2MEN1
SCHEMBL11322693 0.79 ACACB (0.52) MTNR1AMTNR1BACACBSMN1; SMN2MEN1
SCHEMBL4760955 0.79 ACACB (0.52) MTNR1AMTNR1BACACBNPC1ALDH1A1
SCHEMBL4442263 0.79 ACACB (0.52) MTNR1AMTNR1BACACBSMN1; SMN2NPC1
SCHEMBL5051934 0.79 KMT2A (0.56) MTNR1AMTNR1BACACBSMN1; SMN2MEN1

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 6 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
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
EP-0325245-A1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO., LTD. (JP) 1989-07-26 EP disclosed
EP-0255728-A2 Phenoxyacetic acid compounds, their preparation, pharmaceutical composition and use TANABE SEIYAKU CO., LTD. (JP) 1988-02-10 EP disclosed