SCHEMBL9765333

SCHEMBL9765333

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

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
TSHR P16473 1/20 0.66
ACACB O00763 4/20 0.62
MAPT P10636 2/20 0.49
MAPK1 P28482 1/20 0.49
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ALOX15 P16050 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.45
PTPN7 P35236 1/20 0.45
KMT2A Q03164 1/20 0.45
PTPN12 Q05209 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
SCHEMBL9513697 0.87 ACACB (0.61) ALDH1A1TSHRACACBMTNR1AMTNR1B
SCHEMBL22593378 0.82 ALDH1A1 (0.58) ALDH1A1TSHRACACBMAPTMAPK1
SCHEMBL9512709 0.81 MTNR1A (0.67) ALDH1A1ACACBMTNR1AMTNR1BSMN1; SMN2
SCHEMBL5279314 0.80 ALDH1A1 (1.00) ALDH1A1TSHRMAPTMAPK1SMN1; SMN2
SCHEMBL9765290 0.79 PTPN1 (0.55) ALDH1A1TSHRMAPT
SCHEMBL256524 0.79 ACACB (0.81) ACACB
SCHEMBL8384245 0.77 MTNR1A (0.60) ACACBMTNR1AMTNR1BSMN1; SMN2RAB9A
SCHEMBL2091303 0.77 MTNR1A (0.60) ACACBMTNR1AMTNR1BSMN1; SMN2RAB9A
SCHEMBL8384291 0.77 MTNR1A (0.60) ACACBMTNR1AMTNR1BSMN1; SMN2RAB9A
SCHEMBL801233 0.77 ALDH1A1 (0.72) ALDH1A1TSHRMAPTMAPK1SMN1; SMN2

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-0255728-B1 PHENOXYACETIC ACID COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL COMPOSITION AND USE TANABE SEIYAKU CO., LTD. (JP) 1991-11-27 EP disclosed
US-4866196-A ANTICOAGULANTS TANABE SEIYAKU CO., LTD. (JP) 1989-09-12 US disclosed
EP-0255728-A2 Phenoxyacetic acid compounds, their preparation, pharmaceutical composition and use TANABE SEIYAKU CO., LTD. (JP) 1988-02-10 EP disclosed