SCHEMBL9051375

SCHEMBL9051375

O=C(O)CCc1cccc(CO)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.64
KEAP1 Q14145 1/20 0.63
PTPRB P23467 1/20 0.59
CDC25A P30304 1/20 0.59
CDC25B P30305 1/20 0.59
PTEN P60484 1/20 0.59
PTPMT1 Q8WUK0 1/20 0.59
PLA2G10 O15496 1/20 0.52
TBXA2R P21731 1/20 0.49
HDAC3 O15379 1/20 0.48
MAPK1 P28482 1/20 0.48
ADRA1A P35348 1/20 0.48
HDAC4 P56524 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC1 Q13547 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 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
SCHEMBL70271 0.92 KEAP1 (0.74) FFAR1KEAP1PTPRBCDC25ACDC25B
Hydrochloric Acid SCHEMBL10982620 0.90 KEAP1 (0.71) FFAR1KEAP1PTPRBCDC25ACDC25B
SCHEMBL27712159 0.89 SMN1; SMN2 (0.66) FFAR1KEAP1PTPRBCDC25ACDC25B
SCHEMBL8435278 0.86 FFAR1 (0.80) FFAR1KEAP1PTPRBCDC25ACDC25B
SCHEMBL27578485 0.85 MAPT (0.68) FFAR1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL4407150 0.84 KEAP1 (0.63) FFAR1KEAP1PTPRBCDC25ACDC25B
SCHEMBL30638471 0.84 KEAP1 (0.63) FFAR1KEAP1PTPRBCDC25ACDC25B
SCHEMBL12646398 0.83 FFAR1 (0.69) FFAR1KEAP1FFAR4
SCHEMBL19501287 0.82 ALDH1A1 (0.62) FFAR1KEAP1PTPRBCDC25ACDC25B
SCHEMBL8614478 0.82 KEAP1 (0.67) FFAR1KEAP1PTPRBCDC25ACDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 EP disclosed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 WO disclosed
EP-0142324-B1 PHENYLALKANOIC ACID DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-01-04 EP disclosed
US-4175202-A 4,5,6-Trinor-3,7,-inter-m-phenylene prostaglandin A1 analogs THE UPJOHN COMPANY (US) 1979-11-20 US disclosed
US-4084058-A HYPOTENSIVES, ANTICOAGULANTS THE UPJOHN COMPANY (US) 1978-04-11 US disclosed
US-4053485-A OPTICALLY ACTIVE OR RACEMIC MIXTURES THE UPJOHN COMPANY (US) 1977-10-11 US disclosed
US-4032560-A OXA PHENYLENE PROSTAGLANDIN ANALOGS THE UPJOHN COMPANY (US) 1977-06-28 US disclosed
US-4020097-A HYPOTENSIVE, ANTICOAGULANT THE UPJOHN COMPANY (US) 1977-04-26 US disclosed
US-3997566-A Tricyclic prostaglandin THE UPJOHN COMPANY (US) 1976-12-14 US disclosed