SCHEMBL3242276

SCHEMBL3242276

Cc1ccc2c(c1)c(CCC(=O)O)c(C)n2Cc1ccc(Br)cc1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.60
PLA2G2A P14555 6/20 0.55
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.51
PTGES O14684 1/20 0.49
ALOX5 P09917 1/20 0.49

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
SCHEMBL8876622 0.94 PLA2G2A (0.60) PTGS2PLA2G2ATHRATHRBLMNA
SCHEMBL8878029 0.93 PTGS2 (0.62) PTGS2PLA2G2ATHRATHRBPTGES
SCHEMBL3246296 0.90 PTGS2 (0.59) PTGS2PLA2G2ATHRATHRBLMNA
SCHEMBL8877434 0.87 PLA2G2A (0.62) PTGS2PLA2G2ATHRATHRB
SCHEMBL3246589 0.87 PTGS2 (0.80) PTGS2PLA2G2ALMNAKMT2A
SCHEMBL8878924 0.84 PLA2G2A (0.59) PTGS2PLA2G2ATHRATHRBLMNA
SCHEMBL8876716 0.82 PLA2G2A (0.59) PTGS2PLA2G2ATHRATHRBLMNA
SCHEMBL7196880 0.81 PTGS2 (0.79) PTGS2PLA2G2ALMNAKMT2A
SCHEMBL9230125 0.81 PTGS2 (0.79) PTGS2PLA2G2ALMNAKMT2APTGES
SCHEMBL3000875 0.78 PTGS2 (0.74) PTGS2PLA2G2ALMNAKMT2APTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390026-B1 TREATMENT OF HPV CAUSED DISEASES CORNELL RES FOUNDATION INC (US) 2010-05-05 EP claimed
EP-1039914-A4 CYCLOOXYGENASE-2 INHIBITION CORNELL RES FOUNDATION INC (US) 2007-06-27 EP disclosed
EP-1146789-A4 TREATING CANCERS ASSOCIATED WITH OVEREXPRESSION OF HER-2/NEU CORNELL RES FOUNDATION INC (US) 2007-02-14 EP disclosed
US-7041694-B1 Cyclooxygenase-2 inhibition CORNELL RESEARCH FOUNDATION, INC. (US) 2006-05-09 US disclosed
EP-1109553-A4 TREATING INFLAMMATORY DISEASES OF THE HEAD AND NECK WITH CYCLOOXYGENASE-2 INHIBITORS CORNELL RES FOUNDATION INC (US) 2003-12-10 EP disclosed
US-6486203-B1 Treating inflammatory diseases of the head and neck with cyclooxygenase-2 inhibitors CORNELL RESEARCH FOUNDATION, INC. 2002-11-26 US disclosed
US-6403630-B1 ADMINISTERING A CYCLOOXYGENASE-2 (COX-2) INHIBITOR ALONE OR IN COMBINATION WITH HERCEPTIN? ANTIBODY; USED TO TREAT BREAST CANCER CORNELL RESEARCH FOUNDATION, INC. 2002-06-11 US disclosed
EP-1146789-A1 TREATING CANCERS ASSOCIATED WITH OVEREXPRESSION OF HER-2/NEU CORNELL RESEARCH FOUNDATION, INC. (US) 2001-10-24 EP disclosed
EP-1109553-A1 TREATING INFLAMMATORY DISEASES OF THE HEAD AND NECK WITH CYCLOOXYGENASE-2 INHIBITORS CORNELL RESEARCH FOUNDATION, INC. (US) 2001-06-27 EP disclosed
EP-1039914-A1 CYCLOOXYGENASE-2 INHIBITION CORNELL RESEARCH FOUNDATION, INC. (US) 2000-10-04 EP disclosed
WO-2000044225-A1 TREATING CANCERS ASSOCIATED WITH OVEREXPRESSION OF HER-2/neu CORNELL RESEARCH FOUNDATION, INC. (US) 2000-08-03 WO disclosed
WO-2000013685-A1 TREATING INFLAMMATORY DISEASES OF THE HEAD AND NECK WITH CYCLOOXYGENASE-2 INHIBITORS CORNELL RESEARCH FOUNDATION, INC. (US) 2000-03-16 WO disclosed
WO-1999030721-A1 CYCLOOXYGENASE-2 INHIBITION CORNELL RESEARCH FOUNDATION, INC. (US) 1999-06-24 WO disclosed
US-5604253-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS MERCK FROSST CANADA, INC. (CA) 1997-02-18 US disclosed
WO-1996037469-A1 N-BENZYLINDOL-3-YL PROPANIC ACID DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-11-28 WO disclosed