SCHEMBL11480682

SCHEMBL11480682

O=C(O)c1ccc(NCCC2=CCCCCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
MAPT P10636 5/20 0.59
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
HPGD P15428 3/20 0.50
USP2 O75604 1/20 0.50
TAAR1 Q96RJ0 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
EPHX1 P07099 1/20 0.49
LMNA P02545 2/20 0.48
ALOX12 P18054 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
TDP1 Q9NUW8 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
SCHEMBL11480678 1.00 ALDH1A1 (0.59) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11479106 0.89 NPC1 (0.51) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11468989 0.84 ALDH1A1 (0.46) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11462479 0.84 ALDH1A1 (0.46) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5604911 0.78 SMN1; SMN2 (0.64) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
Terephthalic Acid SCHEMBL8014758 0.76 GAA (0.50) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11464034 0.72 RAB9A (0.46) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7783342 0.71 EPHX1 (0.73) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11482524 0.70 ALDH1A1 (0.51) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6569873 0.70 RAB9A (0.78) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2

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-4227014-A ANTILIPEMIC AGENTS, ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1980-10-07 US claimed