SCHEMBL2069520

SCHEMBL2069520

CCCCCC(=O)N(CCCC)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.70
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
PAX8 Q06710 2/20 0.68
JAK2 O60674 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.56
LTB4R2 Q9NPC1 8/20 0.55
MLYCD O95822 1/20 0.54
AGTR1 P30556 1/20 0.50
ALDH1A1 P00352 3/20 0.49
GPX4 P36969 1/20 0.49
GLA P06280 1/20 0.49
TSHR P16473 1/20 0.49
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL29266757 0.95 NPC1 (0.75) TP53NPC1RAB9APAX8JAK2
SCHEMBL4167183 0.92 TP53 (0.64) TP53NPC1RAB9APAX8JAK2
SCHEMBL3772286 0.92 TP53 (0.83) TP53NPC1RAB9APAX8JAK2
SCHEMBL4170594 0.91 NPC1 (0.65) TP53NPC1RAB9APAX8JAK2
SCHEMBL4161699 0.91 NPC1 (0.65) TP53NPC1RAB9APAX8JAK2
SCHEMBL5113054 0.91 TP53 (0.62) TP53NPC1RAB9APAX8JAK2
SCHEMBL4159010 0.91 NPC1 (0.65) TP53NPC1RAB9APAX8JAK2
SCHEMBL4158350 0.90 TP53 (0.66) TP53NPC1RAB9APAX8JAK2
SCHEMBL14229916 0.90 TP53 (0.81) TP53NPC1RAB9APAX8JAK2
SCHEMBL4149225 0.89 TP53 (0.64) TP53NPC1RAB9APAX8JAK2

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-7862868-B2 Ink-jet recording material FERRANIA TECHNOLOGIES, S.P.A. (IT) 2011-01-04 US disclosed
US-20080138544-A1 Ink-Jet Recording Material FERRANIA TECHNOLOGIES, S.P.A. 2008-06-12 US disclosed