SCHEMBL9998940

SCHEMBL9998940

CCOC(=O)N(c1ccccc1)c1c(C)noc1-c1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 4/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
HPGD P15428 2/20 0.36
CYP2C19 P33261 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TARBP2 Q15633 1/20 0.36
PKM P14618 1/20 0.35
TP53 P04637 1/20 0.35
LPAR1 Q92633 2/20 0.35
TSHR P16473 1/20 0.34
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
SLC26A6 Q9BXS9 1/20 0.33

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
SCHEMBL2341431 0.88 IP6K1 (0.40) MAPTALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL2343390 0.87 MEN1 (0.43) MAPTALDH1A1HPGDHSD17B10TARBP2
SCHEMBL1286656 0.86 LPAR1 (0.48) L3MBTL1MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL9998264 0.85 LPAR1 (0.48) L3MBTL1MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL2335059 0.85 LPAR1 (0.41) L3MBTL1MAPTALDH1A1HSD17B10PKM
SCHEMBL2225515 0.85 LPAR1 (0.41) L3MBTL1MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL6694 0.83 LPAR1 (0.50) MAPTALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL7595 0.83 OPRM1 (0.44) CYP2C9LPAR1
SCHEMBL2635812 0.82 OPRM1 (0.43) ALDH1A1CYP1A2CYP2C9LPAR1TSHR
SCHEMBL3714448 0.82 LPAR1 (0.41) MAPTTP53LPAR1LPAR3

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-2011159550-A2 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST AND USES THEREOF AMIDRA PHARMACEUTICALS, INC. (US) 2011-12-22 WO disclosed