SCHEMBL11263281

SCHEMBL11263281

CC(C)Cc1nccc2c(C(C)C(=O)O)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
PTGS2 P35354 6/20 0.39
PTGS1 P23219 4/20 0.39
LMNA P02545 2/20 0.39
CYP2C9 P11712 2/20 0.39
AKR1C3 P42330 2/20 0.39
CXCR1 P25024 2/20 0.39
CXCR2 P25025 2/20 0.39
CXCL8 P10145 2/20 0.39
ALB P02768 1/20 0.39
ESR1 P03372 1/20 0.39
ALOX5 P09917 1/20 0.39
RARB P10826 1/20 0.39
ADRB3 P13945 1/20 0.39
NFKB1 P19838 1/20 0.39
HTR2A P28223 1/20 0.39
NR1I3 Q14994 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL11263122 0.80 POLB (0.43) PTGS2PTGS1LMNACXCR1CXCR2
SCHEMBL298816 0.80 CYP2A6 (0.40) PTGS2PTGS1CXCR1CXCR2CXCL8
SCHEMBL11243028 0.78 GABRA1 (0.46) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL11251937 0.78 TDP1 (0.46) PDE3BPDE3APTGS2LMNAPOLB
SCHEMBL11266799 0.77 POLB (0.39) PTGS2PTGS1CXCL8TSHRPOLB
SCHEMBL11256929 0.73 RAB9A (0.40) PTGS2LMNAAKR1C3AKR1C2MAPK1
SCHEMBL11255431 0.72 SELPLG (0.44) PDE3BPDE3ALMNACYP2C9CXCL8
SCHEMBL11259590 0.72 TRPV1 (0.37) PTGS2CYP2C9CXCL8MMP1MMP2
SCHEMBL11257836 0.72 BCHE (0.41) PDE3BPDE3APTGS2AKR1C3AKR1C2
SCHEMBL11251904 0.71 CXCL8 (0.35) PTGS2PTGS1AKR1C3CXCL8ALOX5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4337256-A ANTIINFLAMMATORY AGENTS; ANTIAGGLOMERANTS; ENZYME INHIBITORS; ANTIULCER AGENTS TEIKOKU HORMONE MANUFACTURING CO., LTD. (JP) 1982-06-29 US disclosed
EP-0013411-A1 Isoquinoline derivatives, process for their preparation and pharmaceutical compositions containing them TEIKOKU HORMONE MFG. CO., LTD. (JP) 1980-07-23 EP disclosed