SCHEMBL11260132

SCHEMBL11260132

CCN(Cc1cc(C(=O)OCCOC(=O)C(C)c2cccc(C(=O)c3ccccc3)c2)cc(Br)c1N)C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.45
▸ PTGS1 P23219 6/20 0.45
▸ MAPT P10636 2/20 0.37
▸ CXCR1 P25024 2/20 0.37
▸ CXCR2 P25025 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ SLC22A6 Q4U2R8 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CXCL8 P10145 1/20 0.37
▸ THPO P40225 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ GLI1 P08151 3/20 0.35

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
SCHEMBL11255131 0.99 PTGS2 (0.44) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL11269682 0.99 PTGS2 (0.44) PTGS2PTGS1MAPTCXCR1CXCR2
Hydrochloric Acid SCHEMBL11255284 0.98 PTGS2 (0.43) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL11262856 0.97 PTGS2 (0.42) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL11265467 0.97 PTGS2 (0.42) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL11258093 0.96 PTGS2 (0.41) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL11257261 0.96 PTGS2 (0.41) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL11255660 0.96 PTGS2 (0.41) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL11260385 0.96 PTGS2 (0.41) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL11266463 0.96 PTGS2 (0.41) PTGS2PTGS1MAPTCXCR1CXCR2

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
Send feedback