SCHEMBL13843264

SCHEMBL13843264

CCOC(=O)[C@H]1[C@H](C(=O)Nc2ccc3c(c2)OCO3)C(c2ccc(Cl)c(Cl)c2)OC12C(=O)c1ccccc1C2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FARS2 O95363 5/20 0.57
RAB9A P51151 6/20 0.43
NPC1 O15118 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 4/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 1/20 0.39
MAOB P27338 1/20 0.38

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
SCHEMBL13104431 1.00 FARS2 (0.57) FARS2RAB9ANPC1CYP1A2CYP3A4
SCHEMBL13847077 0.95 FARS2 (0.50) FARS2RAB9ANPC1CYP1A2CYP3A4
SCHEMBL13119897 0.95 FARS2 (0.50) FARS2RAB9ANPC1CYP1A2CYP3A4
SCHEMBL13104414 0.92 FARS2 (0.60) FARS2RAB9ANPC1MAPTPKM
SCHEMBL13104427 0.88 FARS2 (0.74) FARS2RAB9ANPC1MAPTPKM
SCHEMBL13104371 0.88 FARS2 (0.74) FARS2RAB9ANPC1MAPTPKM
SCHEMBL14565750 0.88 FARS2 (0.57) FARS2RAB9ANPC1MAPTPKM
SCHEMBL13104394 0.81 FARS2 (0.64) FARS2RAB9ANPC1MAPTPKM
SCHEMBL13119892 0.81 FARS2 (0.53) FARS2RAB9ANPC1MAPTPKM
SCHEMBL13104361 0.80 FARS2 (0.69) FARS2RAB9ANPC1MAPTPKM

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-7528167-B2 Inhibitors of papilloma virus BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-05-05 US disclosed