SCHEMBL3853353

SCHEMBL3853353

CCN(CC)CC.CCNCCO

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 2/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.35
PAOX Q6QHF9 1/20 0.34
SAT1 P21673 2/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
KDM1A O60341 5/20 0.32
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
Diethanolamine SCHEMBL9785646 0.89 PAOX (0.41) CYP2C19MEN1GLAKMT2ACYP1A2
Isopropylamine SCHEMBL16612716 0.89 CYP2C19 (0.32) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL17022731 0.88 CYP1A2 (0.45) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL4090083 0.86 CYP2C19 (0.39) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL28054516 0.86 CYP2C19 (0.50) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL19424 0.86
Diethylamine SCHEMBL28211596 0.83 TP53 (0.53) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL28263242 0.83
Hydrochloric Acid SCHEMBL7037872 0.83
Bromide SCHEMBL28379330 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110461952-A Coating color and aqueous pigment dispersions, and application thereof and manufacturing method TOYO INK SC HOLDINGS CO LTD 2019-11-15 CN disclosed
CN-110267681-A Use the therapeutic monoclonal antibodies and immunologic adjuvant treating cancer to tumor associated antigen specificity 昂奎斯特有限公司 2019-09-20 CN disclosed
US-7582606-B2 Nadph oxidase cytosolic cofactor mutant THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-09-01 US disclosed
US-20070098706-A1 NADPH OXIDASE CYTOSOLIC COFACTOR MUTANT THE BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM 2007-05-03 US disclosed