SCHEMBL7717830

SCHEMBL7717830

CCCc1ccc(C(=O)NN)c(OC(=O)C(=O)Oc2cc(CCC)ccc2C(=O)NN)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CTSD P07339 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
PLK1 P53350 1/20 0.41
NCEH1 Q6PIU2 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MAPK1 P28482 1/20 0.39
ALOX5 P09917 1/20 0.38
OR51E2 Q9H255 1/20 0.38
SORT1 Q99523 1/20 0.38
ALDH1A1 P00352 3/20 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
SCHEMBL7716671 0.78 CTSD (0.51) NPC1RAB9AMEN1KMT2ACTSD
SCHEMBL22109001 0.75 PPARG (0.56) NPC1RAB9AMEN1KMT2APPARG
SCHEMBL465065 0.71 PPARG (0.58) NPC1RAB9AMEN1KMT2APPARG
SCHEMBL29196246 0.71 PPARG (0.58) NPC1RAB9AMEN1KMT2APPARG
SCHEMBL7748621 0.71 CTSD (0.68) MEN1KMT2ACTSDMAPTALDH1A1
SCHEMBL6693077 0.69 ACHE (0.53) NPC1RAB9APPARGPPARANCEH1
SCHEMBL3963370 0.69 PPARA (0.78) NPC1RAB9AMEN1KMT2APPARG
SCHEMBL1828644 0.69 CTSD (0.59) MEN1KMT2ACTSDSMN1; SMN2MAPT
SCHEMBL11217374 0.69 PLK1 (0.72) NPC1RAB9AKMT2APLK1MAPT
SCHEMBL9588895 0.68 TRPV1 (0.60) NPC1RAB9ANCEH1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6384007-B1 INTENSIFERS FOR OXIDATION OF PHENOL WITH ENZYMES AND HYDRAZINE COMPOUNDS UNILEVER HOME & PERSONAL USA DIVISION OF CONOPCO, INC. 2002-05-07 US claimed
US-6384007-B1 INTENSIFERS FOR OXIDATION OF PHENOL WITH ENZYMES AND HYDRAZINE COMPOUNDS UNILEVER HOME & PERSONAL USA DIVISION OF CONOPCO, INC. 2002-05-07 US disclosed