SCHEMBL8491306

SCHEMBL8491306

CCCCCCCCCCCCCc1nncn1-c1cccc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.43
ALDH1A1 P00352 3/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
FGFR1 P11362 1/20 0.42
GRM2 Q14416 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
USP2 O75604 1/20 0.40
HTT P42858 2/20 0.40
GFER P55789 1/20 0.40
CETP P11597 1/20 0.40
S1PR4 O95977 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
S1PR1 P21453 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8493028 0.76 DCTPP1 (0.45) DCTPP1ALDH1A1L3MBTL1GRM2USP2
SCHEMBL8486651 0.75 APLNR (0.46) ALDH1A1KMT2ADRD2
SCHEMBL11089171 0.73 ALDH1A1 (0.53) ALDH1A1PKML3MBTL1FGFR1HTT
SCHEMBL14112930 0.72 ALDH1A1 (0.51) ALDH1A1PKML3MBTL1FGFR1HTT
SCHEMBL993028 0.72 CETP (0.71) ALDH1A1L3MBTL1HTTGFERCETP
SCHEMBL993229 0.72 CETP (0.71) ALDH1A1L3MBTL1HTTGFERCETP
SCHEMBL992553 0.72 CETP (0.71) ALDH1A1L3MBTL1HTTGFERCETP
SCHEMBL993442 0.72 CETP (0.71) ALDH1A1L3MBTL1HTTGFERCETP
SCHEMBL9796229 0.70 PPARG (0.61)
SCHEMBL3297777 0.70 PPARG (0.61)

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
WO-1999014204-A1 SUBSTITUTED 1,2,4-TRIAZOLES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY G.D. SEARLE & CO. (US) 1999-03-25 WO disclosed