SCHEMBL9760581

SCHEMBL9760581

CC(Nc1ccc(O)cc1[N+](=O)[O-])N(CCO)CCO

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.44
ALDH1A1 P00352 5/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KCNMA1 Q12791 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 2/20 0.38
BDKRB2 P30411 1/20 0.38
BDKRB1 P46663 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.37
BACE1 P56817 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL9760045 0.82 HCAR3 (0.49) HCAR3ALDH1A1TDP1CRHBPCRHR2
SCHEMBL10894653 0.80 HCAR3 (0.56) HCAR3ALDH1A1TDP1CRHBPCRHR2
SCHEMBL129286 0.78 HCAR3 (0.52) HCAR3ALDH1A1TDP1CRHBPCRHR2
SCHEMBL28558294 0.76 HCAR3 (0.51) HCAR3ALDH1A1TDP1CRHBPCRHR2
SCHEMBL10890786 0.75 HCAR3 (0.60) HCAR3ALDH1A1KCNMA1MAPTKMT2A
SCHEMBL688641 0.74 HCAR3 (0.52) HCAR3ALDH1A1CRHBPCRHR2KDM4E
SCHEMBL18075203 0.74 HCAR3 (0.71) HCAR3ALDH1A1CRHBPCRHR2KCNMA1
SCHEMBL18075205 0.74 HCAR3 (0.71) HCAR3ALDH1A1CRHBPCRHR2KCNMA1
SCHEMBL6001852 0.72 MAPT (0.51) HCAR3ALDH1A1TDP1CRHBPCRHR2
SCHEMBL10895181 0.72 HCAR3 (0.47) HCAR3ALDH1A1CRHBPCRHR2KCNMA1

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-5026401-A Hair dyes L'OREAL (FR) 1991-06-25 US disclosed