SCHEMBL15427596

SCHEMBL15427596

Cc1cc(C)cc(C(=O)Nc2ccc(C(=O)CC(=O)O)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.59
MEN1 O00255 5/20 0.59
NPC1 O15118 8/20 0.54
RAB9A P51151 8/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 2/20 0.52
FFAR1 O14842 1/20 0.52
GLA P06280 1/20 0.52
MAPT P10636 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 4/20 0.49
THRB P10828 1/20 0.49
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
APEX1 P27695 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 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
SCHEMBL15427593 0.89 LMNA (0.60) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL11732303 0.83 KMT2A (0.64) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL13027031 0.81 NPC1 (0.42) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL27998555 0.80 KMT2A (0.69) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL28166297 0.79 TPMT (0.56) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL15427591 0.79 NR1H4 (0.64) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL10149367 0.78 NPC1 (0.73) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL29069365 0.78 NPC1 (0.64) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL12959541 0.78 KCNK3 (0.64) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL27998568 0.77 KMT2A (0.59) KMT2AMEN1NPC1RAB9ASMN1; SMN2

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