SCHEMBL11258342

SCHEMBL11258342

CC(C(=O)OCCCCOC(=O)c1cc(Br)c(N)c(CN2CCCC2)c1)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.45
▸ PTGS1 P23219 6/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ CXCR1 P25024 2/20 0.39
▸ CXCR2 P25025 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ SLC22A6 Q4U2R8 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CXCL8 P10145 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ HIF1A Q16665 1/20 0.39

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
SCHEMBL11263518 0.99 PTGS2 (0.44) PTGS2PTGS1HRH3MAPTCXCR1
SCHEMBL11155210 0.99 PTGS2 (0.44) PTGS2PTGS1HRH3MAPTCXCR1
SCHEMBL11271305 0.97 PTGS2 (0.48) PTGS2PTGS1HRH3MAPTCXCR1
SCHEMBL11256561 0.96 PTGS2 (0.48) PTGS2PTGS1HRH3MAPTCXCR1
SCHEMBL11261401 0.96 PTGS2 (0.48) PTGS2PTGS1HRH3MAPTCXCR1
SCHEMBL11258108 0.94 PTGS2 (0.44) PTGS2PTGS1HRH3MAPTCXCR1
SCHEMBL11152420 0.93 PTGS2 (0.43) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL11274096 0.90 PTGS2 (0.47) PTGS2PTGS1HRH3MAPTCXCR1
SCHEMBL11261999 0.89 PTGS2 (0.47) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL11156896 0.88 PTGS2 (0.43) PTGS2PTGS1HRH3MAPTCXCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4362738-A ANTIINFLAMMATORIES DR. KARL THOMAE GMBH (DE) 1982-12-07 — — US disclosed
EP-0024282-A1 Benzoyl derivatives, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1981-03-04 — — EP disclosed
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