SCHEMBL18697441

SCHEMBL18697441

CC(C)(C)C(=O)NCc1cccc(CNC(=O)C(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.56
RIPK1 Q13546 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA14 Q9ULX7 1/20 0.54
POLB P06746 3/20 0.53
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
MMP8 P22894 1/20 0.49
NR1H4 Q96RI1 1/20 0.48
ESR1 P03372 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 2/20 0.47
PKM P14618 2/20 0.47
LMNA P02545 1/20 0.47
ALOX12 P18054 1/20 0.47
OPRK1 P41145 2/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL15442794 0.90 RIPK1 (0.54) HDAC6RIPK1SMN1; SMN2CA1CA2
SCHEMBL20233518 0.90 RIPK1 (0.54) HDAC6RIPK1SMN1; SMN2CA1CA2
SCHEMBL18697527 0.90 RIPK1 (0.50) HDAC6RIPK1SMN1; SMN2CA1CA2
SCHEMBL15442032 0.90 RIPK1 (0.71) HDAC6RIPK1SMN1; SMN2CA1CA2
SCHEMBL12664467 0.90 MMP13 (0.56) HDAC6RIPK1SMN1; SMN2CA1CA2
SCHEMBL3505448 0.90 OPRK1 (0.54) HDAC6RIPK1SMN1; SMN2CA1CA2
SCHEMBL12993481 0.88 NR1H4 (0.52) HDAC6RIPK1SMN1; SMN2CA1CA2
SCHEMBL29037528 0.88 HDAC6 (0.53) HDAC6RIPK1SMN1; SMN2CA1CA2
SCHEMBL19318519 0.88 CA1 (0.51) HDAC6RIPK1SMN1; SMN2CA1CA2
SCHEMBL30452213 0.88 HDAC6 (0.53) HDAC6RIPK1SMN1; SMN2CA1CA2

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-2682438-B1 INK COMPOSITION AND IMAGE FORMING METHOD FUJIFILM CORP (JP) 2017-04-05 EP disclosed