SCHEMBL6562323

SCHEMBL6562323

CC(=O)CC1CC(C)(C)c2cc([N+](=O)[O-])c(CC(N)=O)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AKR1B1 P15121 3/20 0.31
ALDH1A1 P00352 3/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
PDGFRB P09619 1/20 0.31
FGFR1 P11362 1/20 0.31
PDGFRA P16234 1/20 0.31
FLT1 P17948 1/20 0.31
FGFR3 P22607 1/20 0.31
KDR P35968 1/20 0.31
LMNA P02545 1/20 0.30
RXRA P19793 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL6561131 0.81 CTSD (0.34) CTSDCYP1A2CYP3A4CYP2C19NPC1
SCHEMBL29580615 0.66 PDGFRB (0.51) CYP1A2CYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL3943281 0.65 CYP1A2 (0.36) CTSDCYP1A2CYP3A4CYP2C19NPC1
SCHEMBL5557584 0.65 PGR (0.41) CTSDCYP1A2CYP3A4CYP2C19NPC1
SCHEMBL28468281 0.64 SIGMAR1 (0.45) CTSDCYP1A2CYP3A4CYP2C19NPC1
SCHEMBL2253975 0.64 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19NPC1RAB9A
SCHEMBL5318760 0.64 AURKA (0.35) CTSDCYP1A2CYP3A4CYP2C19NPC1
SCHEMBL3894477 0.63 MAPT (0.57) CYP1A2CYP3A4CYP2C19NPC1RAB9A
SCHEMBL11597118 0.63 CYP1A2 (0.73) CYP1A2SMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL5955494 0.62 PDGFRB (0.44) CYP1A2CYP3A4NPC1RAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1085009-B1 INDAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2004-11-10 EP disclosed
US-6486178-B1 Indane derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-26 US disclosed
EP-1085009-A1 INDAN DERIVATIVES Nissan Chemical Industries, Ltd. (JP) 2001-03-21 EP disclosed