SCHEMBL8415822

SCHEMBL8415822

CCCCCCCCCCCCCCC1OC1c1cccc(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.44
PTPN11 Q06124 2/20 0.43
CTSK P43235 1/20 0.42
PLA2G2A P14555 1/20 0.41
KMO O15229 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.40
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL8416867 0.86 GRM2 (0.52) CTSK
SCHEMBL15667202 0.83 KMO (0.47) KMOTP53KMT2A
SCHEMBL379440 0.79 CFTR (0.45) CTSKTSHR
SCHEMBL27260115 0.79 CFTR (0.45) CTSKTSHR
SCHEMBL1499434 0.79 CFTR (0.45) CTSKTSHR
SCHEMBL4624725 0.79 CFTR (0.45) CTSKTSHR
SCHEMBL10373355 0.78 KMO (0.49) KMO
SCHEMBL8417334 0.76 F7 (0.41) PLA2G4BPTPN11
SCHEMBL8417338 0.76 F7 (0.41) PLA2G4BPTPN11
Isophthalic Acid SCHEMBL11324134 0.75 KMT2A (0.58) PLA2G4BPTPN11PLA2G2ATP53TSHR

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
US-5990326-A AN ANTIINFLAMMATORY AGENT AS INHIBITORS OF LEUKOTRIENE HYDROLASE G.D. SEARLE & CO. (US) 1999-11-23 US claimed
EP-0360246-B1 3-Oxiranyl benzoic acids and derivatives thereof SEARLE & CO (US) 1994-03-30 EP claimed
EP-0360246-A1 3-Oxiranyl benzoic acids and derivatives thereof G.D. Searle & Co. (US) 1990-03-28 EP claimed