SCHEMBL11271132

SCHEMBL11271132

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.48
▸ PTGS1 P23219 6/20 0.48
▸ GLI1 P08151 4/20 0.43
▸ GLI2 P10070 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ CXCR1 P25024 2/20 0.40
▸ CXCR2 P25025 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ SLC22A6 Q4U2R8 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CXCL8 P10145 1/20 0.40
▸ THPO P40225 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
SCHEMBL11180351 0.91 KDM4E (0.38) PTGS2PTGS1GLI1GLI2SMN1; SMN2
SCHEMBL11264643 0.91 PTGS2 (0.48) PTGS2PTGS1GLI1GLI2SMN1; SMN2
SCHEMBL11266172 0.91 PTGS2 (0.52) PTGS2PTGS1GLI1GLI2SMN1; SMN2
SCHEMBL11274442 0.89 PTGS2 (0.50) PTGS2PTGS1GLI1GLI2SMN1; SMN2
SCHEMBL11160144 0.87 PTGS2 (0.48) PTGS2PTGS1GLI1GLI2SMN1; SMN2
SCHEMBL11271773 0.86 PTGS2 (0.46) PTGS2PTGS1SMN1; SMN2MAPTCXCR1
SCHEMBL11269384 0.86 PTGS2 (0.46) PTGS2PTGS1SMN1; SMN2MAPTCXCR1
Benzophenone SCHEMBL11271133 0.85 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL11260132 0.83 PTGS2 (0.45) PTGS2PTGS1GLI1GLI2SMN1; SMN2
SCHEMBL11408289 0.83 PTGS2 (0.51) PTGS2PTGS1GLI1GLI2SMN1; SMN2

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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