SCHEMBL9425565

SCHEMBL9425565

CC(C(=O)O)c1cccc(CO)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.56
PTGS1 P23219 10/20 0.56
CXCR1 P25024 4/20 0.56
CXCR2 P25025 4/20 0.56
LMNA P02545 4/20 0.56
MAPT P10636 3/20 0.56
SLC22A6 Q4U2R8 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HPGD P15428 2/20 0.56
HIF1A Q16665 2/20 0.56
PMP22 Q01453 2/20 0.56
CXCL8 P10145 2/20 0.56
RECQL P46063 1/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.56
THPO P40225 1/20 0.56
AKR1C3 P42330 4/20 0.49

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
SCHEMBL27761875 0.87 PTGS1 (0.41) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL3674499 0.86 PTGS2 (0.69) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL10276277 0.84 PTGS2 (0.54) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL2319534 0.84 PTGS2 (0.58) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL29393183 0.84 PTGS2 (0.64) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL2391075 0.84 PTGS2 (0.54) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL6903957 0.84 PTGS2 (0.58) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL3242802 0.84 PTGS2 (0.54) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL66533 0.84 PTGS2 (0.64) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL66534 0.84 PTGS2 (0.64) PTGS2PTGS1CXCR1CXCR2LMNA

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
US-5280034-A Bis-heterocyclic prostaglandin analogs E. R. SQUIBB & SONS, INC. (US) 1994-01-18 US 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