SCHEMBL9458014

SCHEMBL9458014

CCCc1nc(SCCCC(=O)OCC)sc1Cc1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
SHMT2 P34897 1/20 0.41
HTT P42858 3/20 0.40
POLB P06746 1/20 0.39
PPOX P50336 5/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
PPIB P23284 1/20 0.35
PPIA P62937 1/20 0.35
PPID Q08752 1/20 0.35
PPIG Q13427 1/20 0.35
GAA P10253 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL9710192 0.88 LDHA (0.37) MAPTALDH1A1HPGDHTTPOLB
SCHEMBL9457533 0.88 MAPT (0.40) MAPTALDH1A1HPGDHTTKDM4E
SCHEMBL9457524 0.79 MAPT (0.40) MAPTALDH1A1HTTPOLBGAA
SCHEMBL9710035 0.75 MEN1 (0.39) MAPTALDH1A1HPGDHTT
SCHEMBL9710210 0.75 COPS5 (0.37) MAPTALDH1A1HPGDSHMT2HTT
SCHEMBL9457502 0.71 PPID (0.42) MAPTALDH1A1HPGDSHMT2POLB
SCHEMBL9458088 0.71 CYP3A4 (0.38) ALDH1A1HTTPOLBKDM4ETDP1
SCHEMBL418873 0.71 CYP1A2 (0.46) MAPTALDH1A1HTTPOLBPTGDR2
SCHEMBL9710206 0.70 COPS5 (0.36)
SCHEMBL9458127 0.70 HTT (0.40) ALDH1A1HTTGAAHSD17B10

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-5192781-A Cardiovascular LABORATOIRES UPSA (FR) 1993-03-09 US disclosed