SCHEMBL3704850

SCHEMBL3704850

CCOC(=O)Cc1ccccc1-c1cccc(-c2onc(C)c2N(C(=O)OCC)c2ccccc2Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.34
MAPT P10636 4/20 0.34
LMNA P02545 2/20 0.34
CYP2D6 P10635 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TSHR P16473 2/20 0.33
HTT P42858 2/20 0.33
SLC26A6 Q9BXS9 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM3 P20309 1/20 0.33
KCNH2 Q12809 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PPARD Q03181 2/20 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
SCHEMBL3711037 0.93 PTGER1 (0.39) GPBAR1MAPTLMNACYP2D6SLC6A2
SCHEMBL3707844 0.88 L3MBTL1 (0.38) MAPTLMNAHTTCYP1A2CYP2C9
SCHEMBL3717656 0.88 KMT2A (0.34) MAPTNPSR1TSHRHTTSLC26A6
SCHEMBL3709586 0.87 LPAR1 (0.38) HTTNPC1RAB9AALDH1A1HPGD
SCHEMBL3713874 0.87 L3MBTL1 (0.37) GPBAR1MAPTTSHRHTTNPC1
SCHEMBL3713473 0.86 PPARD (0.39) GPBAR1MAPTLMNAHTTNPC1
SCHEMBL3711309 0.86 FTO (0.36) GPBAR1TSHRTDP1ALDH1A1HPGD
SCHEMBL2342592 0.85 LPAR1 (0.39) GPBAR1MAPTCYP2D6SLC6A2SLC6A4
SCHEMBL3706374 0.85 MDM2 (0.39) HTTNPC1RAB9APPARD
SCHEMBL3709682 0.85 FTO (0.39) GPBAR1MAPTLMNASLC6A2SLC6A4

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