SCHEMBL7466601

SCHEMBL7466601

CC1=C(C)C(=O)N(Cc2ccc(C(=O)Cl)cc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
ENPP2 Q13822 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
NR4A1 P22736 1/20 0.42
APEX1 P27695 1/20 0.42
APOBEC3A P31941 1/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL24939709 0.86 PTGS1 (0.64) HDAC1HDAC7PTGS1PTGS2ENPP2
Hydrochloric Acid SCHEMBL7466609 0.84 PTGS1 (0.62) HDAC1HDAC7PTGS1PTGS2ENPP2
SCHEMBL16038134 0.81 HDAC1 (0.69) HDAC1HDAC7ENPP2MEN1KMT2A
SCHEMBL12704514 0.79 TP53 (0.53) KMT2AMAPTALDH1A1GAASMN1; SMN2
SCHEMBL14207257 0.76 CA12 (0.53) HDAC1HDAC7PTGS1PTGS2MEN1
SCHEMBL8133573 0.76 CASP3 (0.57) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL8133525 0.75 ELANE (0.61) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL7460887 0.74 PARP1 (0.49) HPGDALDH1A1TDP1L3MBTL1CA1
SCHEMBL23872042 0.74 MGLL (0.46) MEN1KMT2ACA2FAAHMGLL
SCHEMBL11724341 0.74 ALDH1A1 (0.39) HDAC1HDAC7PTGS1PTGS2ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0813546-B1 PHOTOCHEMICALLY CROSS-LINKED POLYSACCHARIDE DERIVATIVES AS SUPPORTS FOR THE CHROMATOGRAPHIC SEPARATION OF ENANTIOMERS NOVARTIS AG (CH) 2002-07-17 EP disclosed
US-6011149-A ESTERIFICATION; CARBAMYLATION NOVARTIS AG (CH) 2000-01-04 US disclosed
EP-0813546-A1 PHOTOCHEMICALLY CROSS-LINKED POLYSACCHARIDE DERIVATIVES AS SUPPORTS FOR THE CHROMATOGRAPHIC SEPARATION OF ENANTIOMERS Novartis AG (CH) 1997-12-29 EP disclosed
WO-1996027615-A1 PHOTOCHEMICALLY CROSS-LINKED POLYSACCHARIDE DERIVATIVES AS SUPPORTS FOR THE CHROMATOGRAPHIC SEPARATION OF ENANTIOMERS NOVARTIS AG (CH) 1996-09-12 WO disclosed