SCHEMBL7514736

SCHEMBL7514736

CCCCCC(=O)Nc1c(C(=O)c2ccccc2)[nH]c2cc(Cl)ccc12

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.48
GSK3B P49841 3/20 0.48
CNR1 P21554 1/20 0.47
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 2/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL7505284 0.99 ALOX15 (0.49) ALOX15GSK3BCNR1ALDH1A1HPGD
SCHEMBL7504311 0.99 ALOX15 (0.49) ALOX15GSK3BCNR1ALDH1A1HPGD
SCHEMBL7501257 0.99 ALOX15 (0.49) ALOX15GSK3BCNR1ALDH1A1HPGD
SCHEMBL7508748 0.99 ALOX15 (0.49) ALOX15GSK3BCNR1ALDH1A1HPGD
SCHEMBL7506242 0.99 ALOX15 (0.49) ALOX15GSK3BCNR1ALDH1A1HPGD
SCHEMBL7507638 0.99 ALOX15 (0.49) ALOX15GSK3BCNR1ALDH1A1HPGD
SCHEMBL7506263 0.99 ALOX15 (0.49) ALOX15GSK3BCNR1ALDH1A1HPGD
SCHEMBL7507890 0.99 ALOX15 (0.49) ALOX15GSK3BCNR1ALDH1A1HPGD
SCHEMBL7508929 0.99 ALOX15 (0.49) ALOX15GSK3BCNR1ALDH1A1HPGD
SCHEMBL7508244 0.99 ALOX15 (0.49) ALOX15GSK3BCNR1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001934-B1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2002-11-27 EP disclosed
US-6300363-B1 USEFUL IN THE TREATMENT OR ALLEVIATION OF INFLAMMATION AND OTHER INFLAMMATION ASSOCIATED DISORDERS IN MAMMALS PFIZER INC. 2001-10-09 US disclosed
EP-1001934-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 2000-05-24 EP disclosed
WO-1999005104-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 1999-02-04 WO disclosed