SCHEMBL11061489

SCHEMBL11061489

CCCN(CCC)C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.60
CRHR2 Q13324 1/20 0.60
MLYCD O95822 1/20 0.55
MAPK1 P28482 1/20 0.53
EGFR P00533 1/20 0.53
ERBB2 P04626 1/20 0.53
ALDH1A1 P00352 3/20 0.52
CES1 P23141 1/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
GSK3B P49841 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL14776737 0.90 CRHBP (0.57) CRHBPCRHR2MAPK1EGFRERBB2
SCHEMBL12155288 0.86 CRHBP (0.64) CRHBPCRHR2MLYCDMAPK1ALDH1A1
SCHEMBL4481331 0.86 ATM (0.60) CRHBPCRHR2MAPK1ALDH1A1CES1
SCHEMBL5114622 0.85 MAPK1 (0.51) CRHBPCRHR2MAPK1ALDH1A1CES1
SCHEMBL9694832 0.84 MLYCD (0.72) MLYCDEGFRERBB2ALDH1A1L3MBTL1
SCHEMBL28802121 0.83 CRHBP (0.60) CRHBPCRHR2MAPK1EGFRERBB2
SCHEMBL3940416 0.83 CRHBP (0.56) CRHBPCRHR2MAPK1ALDH1A1CES1
SCHEMBL11441225 0.81 CRHBP (0.48) CRHBPCRHR2MAPK1ALDH1A1CES1
SCHEMBL11280269 0.80 CRHBP (0.60) CRHBPCRHR2MAPK1ALDH1A1CES1
SCHEMBL3862638 0.78 ATM (0.50) CRHBPCRHR2MLYCDMAPK1ALDH1A1

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-4425327-A Method of suppressing body odor with aminobenzoic acid amides HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1984-01-10 US disclosed