SCHEMBL11233653

SCHEMBL11233653

CCCCCCCCCCCCCCCCNc1ccc(CC(=O)NCCCBr)cc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.56
HPGD P15428 2/20 0.56
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
RAB9A P51151 1/20 0.46
TLR7 Q9NYK1 1/20 0.46

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
SCHEMBL11237793 0.83 ALDH1A1 (0.61) TRPV1HPGD
SCHEMBL11062946 0.81 L3MBTL1 (0.62) CA2RAB9A
SCHEMBL6745278 0.80 TRPV1 (0.65) TRPV1HPGD
SCHEMBL22664689 0.79 ALDH1A1 (0.59) HPGDCA1CA2RAB9A
SCHEMBL7196612 0.79 TRPV1 (0.71) TRPV1HPGDCA1CA2
SCHEMBL7262770 0.79 TRPV1 (0.71) TRPV1HPGDCA1CA2
SCHEMBL11235833 0.79 ALDH1A1 (0.60) HPGDRAB9A
SCHEMBL11240393 0.79 ALDH1A1 (0.60) HPGDRAB9A
SCHEMBL7268989 0.79 TRPV1 (0.71) TRPV1HPGDCA1CA2
SCHEMBL6743019 0.79 TRPV1 (0.67) TRPV1HPGDCA1CA2RAB9A

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-4348399-A Antiatherosclerotic and hypolipidemic 4-(monoalkylamino)phenyl alkane, alkene and alkyne carbinols, aldehydes, carboxylic acids and derivatives AMERICAN CYANAMID COMPANY (US) 1982-09-07 US disclosed