SCHEMBL17486759

SCHEMBL17486759

CNC(=O)c1ccc(O)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
KCNMA1 Q12791 2/20 0.43
KMT2A Q03164 1/20 0.41
LCK P06239 7/20 0.41
CYP17A1 P05093 1/20 0.40
NAMPT P43490 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TERT O14746 1/20 0.39
TOP1 P11387 1/20 0.39
CREBBP Q92793 1/20 0.38
PLK1 P53350 1/20 0.38

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
SCHEMBL17486761 0.89 CYP17A1 (0.42) HDAC1KMT2ALCKCYP17A1NAMPT
SCHEMBL11982645 0.86 HDAC1 (0.46) HDAC1LCK
SCHEMBL9865843 0.85 KDM5A (0.50) HDAC1KCNMA1KMT2ACYP17A1HTT
SCHEMBL2934675 0.84 CA12 (0.54) HDAC1KMT2ALCKHPGDHTT
SCHEMBL31495873 0.82 LCK (0.43) HDAC1KMT2ALCKCYP17A1NAMPT
SCHEMBL31495872 0.82 LCK (0.43) HDAC1KMT2ALCKCYP17A1NAMPT
SCHEMBL30871575 0.82 CYP17A1 (0.55) HDAC1KMT2ALCKCYP17A1RXFP1
SCHEMBL2031546 0.80 KCNMA1 (0.54) KCNMA1HPGDHTTSMN1; SMN2
SCHEMBL14980804 0.79 CYP17A1 (0.43) HDAC1KCNMA1CYP17A1NAMPTRXFP1
SCHEMBL31458629 0.78 KCNMA1 (0.54) KCNMA1KMT2AHPGDTSHRHTT

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
US-20160032047-A1 Peg-based adhesive phenylic derivatives and methods of synthesis and use DSM IP ASSETS B.V. (NL) 2016-02-04 US disclosed