SCHEMBL7556080

SCHEMBL7556080

CC(C)Cn1cc2cc(OCc3ccccc3)c(=O)cc-2c(O)c1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
ERN1 O75460 1/20 0.35
PTGER1 P34995 3/20 0.35
PTGER4 P35408 2/20 0.35
PTGER3 P43115 2/20 0.35
PTGER2 P43116 2/20 0.35
GRM2 Q14416 1/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
NOTUM Q6P988 1/20 0.34
PTPN1 P18031 1/20 0.34
MCL1 Q07820 1/20 0.34
MMP2 P08253 1/20 0.34
CYP2C9 P11712 2/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL7003191 0.91 HPGD (0.41) ERN1PTGER1PTGER4PTGER3PTGER2
SCHEMBL7004236 0.88 MMP2 (0.43) CRHBPCRHR2PTGER1LMNAHPGD
SCHEMBL7004596 0.80 PTGER1 (0.39) PTGER1PTGER4PTGER3PTGER2PTPN1
SCHEMBL7560338 0.80 CRHBP (0.43) CRHBPCRHR2ERN1PTGER1LMNA
SCHEMBL7003666 0.78 PPARG (0.41) PTGER1PTGER4PTGER3PTGER2LMNA
SCHEMBL7560366 0.74 PTGER1 (0.37) PTGER1PTGER4PTGER3PTGER2GRM2
SCHEMBL5236803 0.69 DPP4 (0.44)
SCHEMBL5240152 0.69 DPP4 (0.44) CRHBPCRHR2
SCHEMBL5235743 0.66 MAPK8 (0.53)
SCHEMBL7003154 0.66 PTPN11 (0.37) LMNAHPGDMAPTCYP2C19

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-2002062764-A9 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-10 WO disclosed