SCHEMBL11268534

SCHEMBL11268534

O=C(O)C(Cc1ccc2c(c1)[nH]c1ccc(Cl)cc12)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.60
MEN1 O00255 2/20 0.60
MAPT P10636 2/20 0.60
KMT2A Q03164 2/20 0.60
ABCC4 O15439 1/20 0.60
C5 P01031 1/20 0.60
PTGS1 P23219 1/20 0.60
PDE4D Q08499 1/20 0.60
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SIRT1 Q96EB6 2/20 0.43
CHUK O15111 1/20 0.42
PARP1 P09874 1/20 0.42
NHERF1 O14745 1/20 0.41
MAP2 P11137 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL7106284 0.85 PTGS2 (0.50) PTGS2MEN1MAPTKMT2AABCC4
SCHEMBL31324164 0.83 MEN1 (0.69) PTGS2MEN1MAPTKMT2AABCC4
Methane SCHEMBL506242 0.82 MEN1 (0.67) PTGS2MEN1MAPTKMT2AABCC4
SCHEMBL31324193 0.77 MEN1 (0.73) PTGS2MEN1MAPTKMT2AABCC4
Carprofen SCHEMBL516074 0.77 PTGS2 (0.80) PTGS2MEN1MAPTKMT2AABCC4
SCHEMBL8161592 0.77 PTGS2 (0.48) PTGS2MEN1MAPTKMT2AABCC4
SCHEMBL8004981 0.76 KIF11 (0.65) PTGS2MEN1MAPTKMT2AABCC4
SCHEMBL31324154 0.76 PTGS2 (0.51) PTGS2MEN1MAPTKMT2AABCC4
SCHEMBL11018311 0.76 PTGS2 (0.51) PTGS2MEN1MAPTKMT2AABCC4
Carprofen SCHEMBL3910 0.75 PTGS2 (1.00) PTGS2MEN1MAPTKMT2AABCC4

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
EP-0008446-B1 PROCESS FOR THE PREPARATION OF CARBAZOLES AND NOVEL CARBAZOLE DERIVATIVES UTILIZED THEREIN F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-09-22 EP claimed