SCHEMBL15427593

SCHEMBL15427593

Cc1cc(C)cc(NC(=O)c2ccc(C(=O)CC(=O)O)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
THRB P10828 1/20 0.58
HTT P42858 2/20 0.55
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 3/20 0.48
FABP1 P07148 1/20 0.47
P2RY14 Q15391 1/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 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
SCHEMBL15427596 0.89 KMT2A (0.59) LMNANPC1RAB9ASMN1; SMN2THRB
SCHEMBL15427597 0.83 THRB (0.66) LMNANPC1RAB9ASMN1; SMN2THRB
SCHEMBL13719742 0.83 NPC1 (0.74) LMNANPC1RAB9ASMN1; SMN2THRB
SCHEMBL3274053 0.81 THRB (0.79) LMNANPC1RAB9ASMN1; SMN2THRB
SCHEMBL15427604 0.80 NR1H4 (0.64) LMNANPC1RAB9ASMN1; SMN2THRB
SCHEMBL13027030 0.80 NQO2 (0.41) LMNANPC1RAB9ASMN1; SMN2HTT
SCHEMBL6556053 0.80 NQO2 (0.70) LMNANPC1RAB9ASMN1; SMN2THRB
SCHEMBL5604593 0.80 KMT2A (0.69) LMNANPC1RAB9ASMN1; SMN2THRB
SCHEMBL13719791 0.79 NPC1 (0.70) LMNANPC1RAB9ASMN1; SMN2THRB
SCHEMBL12218322 0.78 SCN10A (0.65) LMNANPC1RAB9ASMN1; SMN2THRB

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-8633335-B2 Retinoid prodrug compound Research Founation Itsuu Laboratory (JP) 2014-01-21 US disclosed