SCHEMBL3704746

SCHEMBL3704746

CCOC(=O)N(c1ccccc1F)c1c(C)noc1-c1ccc(Sc2ccccc2CC(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.44
MMP9 P14780 4/20 0.44
MMP12 P39900 4/20 0.44
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
MMP14 P50281 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.33
SLC26A6 Q9BXS9 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
LPAR1 Q92633 1/20 0.32
AGBL2 Q5U5Z8 1/20 0.32
CXCL8 P10145 1/20 0.30
SLC6A9 P48067 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL3706580 0.93 MMP2 (0.36) MMP2MMP9MMP12CYP2C9HPGD
SCHEMBL3702315 0.89 LPAR1 (0.40) TP53MAPTKDM4ESLC26A6USP2
SCHEMBL3706560 0.87 KDM4E (0.36) TP53MAPTKDM4EUSP2POLB
SCHEMBL2335539 0.84 LPAR1 (0.45) TP53MAPTKDM4ESLC26A6USP2
SCHEMBL3703222 0.84 LPAR1 (0.35) TP53MAPTKDM4EUSP2POLB
SCHEMBL3703091 0.84 KDM4E (0.36) TP53MAPTKDM4ESLC26A6USP2
SCHEMBL3712524 0.83 LPAR1 (0.42) TP53MAPTKDM4ESLC26A6USP2
SCHEMBL3701871 0.82 KDM4E (0.34) TP53MAPTKDM4EUSP2POLB
SCHEMBL3709661 0.81 LPAR1 (0.41) HPGDTP53MAPTKDM4EUSP2
SCHEMBL3713385 0.81 PLA2G10 (0.38) TP53MAPTKDM4EUSP2POLB

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-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed