SCHEMBL4307628

SCHEMBL4307628

CC1Cc2c([nH]c3ccccc23)C(C(=O)O)=CN1C(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALOX15 P16050 1/20 0.45
PDE5A O76074 3/20 0.43
HPGD P15428 4/20 0.43
TSHR P16473 3/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD11B1 P28845 1/20 0.42
ELANE P08246 2/20 0.41
GFER P55789 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL4300281 0.89 HSD17B10 (0.47) HSD17B10KDM4EALOX15PDE5AHPGD
SCHEMBL4306792 0.88 HPGD (0.45) HSD17B10KDM4EALOX15PDE5AHPGD
SCHEMBL273992 0.88 ELANE (0.53) HSD17B10KDM4EHPGDTSHRKMT2A
SCHEMBL4302795 0.85 ABCG2 (0.43) KMT2AMEN1
SCHEMBL5733404 0.83 NR1H4 (0.49)
SCHEMBL29881780 0.83 NR1H4 (0.49)
SCHEMBL687916 0.82 NR1H4 (0.50) KMT2AMEN1
SCHEMBL29880554 0.82 NR1H4 (0.50) KMT2AMEN1
SCHEMBL274076 0.81 NR1H4 (0.52) HSD17B10KDM4EALOX15PDE5AHPGD
SCHEMBL4301576 0.79 NR1H4 (0.56) HSD17B10KDM4EALOX15PDE5AHPGD

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-7595311-B2 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents EXELIXIS, INC. (US) 2009-09-29 US claimed