SCHEMBL11180351

SCHEMBL11180351

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.38
▸ PTGS1 P23219 3/20 0.37
▸ PTGS2 P35354 3/20 0.37
▸ GLI1 P08151 4/20 0.37
▸ GLI2 P10070 4/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CXCR1 P25024 1/20 0.33
▸ CXCR2 P25025 1/20 0.33
▸ RECQL P46063 1/20 0.33

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
SCHEMBL11171928 0.92 PTGS1 (0.39) KDM4EPTGS1PTGS2SMN1; SMN2PPARG
SCHEMBL11271132 0.91 PTGS2 (0.48) KDM4EPTGS1PTGS2GLI1GLI2
SCHEMBL11186297 0.86 KDM4E (0.41) KDM4EPTGS1PTGS2SMN1; SMN2TDP1
SCHEMBL11186287 0.86 KDM4E (0.41) KDM4EPTGS1PTGS2SMN1; SMN2TDP1
Benzophenone SCHEMBL11271133 0.84 SMN1; SMN2 (0.41) SMN1; SMN2PPARGPPARALMNATSHR
SCHEMBL11175333 0.83 MEN1 (0.38) KDM4EPTGS1PTGS2SMN1; SMN2PPARG
SCHEMBL11170156 0.83 PTGS1 (0.40) KDM4EPTGS1PTGS2GLI1GLI2
SCHEMBL11199131 0.83 MEN1 (0.37) KDM4EPTGS1PTGS2SMN1; SMN2PPARG
SCHEMBL11191276 0.83 MEN1 (0.37) KDM4EPTGS1PTGS2SMN1; SMN2PPARG
SCHEMBL11165820 0.83 PTGS1 (0.38) KDM4EPTGS1PTGS2SMN1; SMN2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0024282-B1 BENZOYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINES Dr. Karl Thomae GmbH (DE) 1983-05-18 — — EP disclosed
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