SCHEMBL3246296

SCHEMBL3246296

Cc1c(CCC(=O)O)c2cc(Cl)ccc2n1Cc1ccc(Br)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.59
MEN1 O00255 1/20 0.54
RGS12 O14924 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54
CYP2C9 P11712 1/20 0.54
PKM P14618 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54
GNAI1 P63096 1/20 0.54
PMP22 Q01453 1/20 0.54
KMT2A Q03164 1/20 0.54
HIF1A Q16665 1/20 0.54
PLA2G2A P14555 4/20 0.54
PTGES O14684 2/20 0.52

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
SCHEMBL8878924 0.94 PLA2G2A (0.59) PTGS2MEN1RGS12ALDH1A1LMNA
SCHEMBL8878029 0.92 PTGS2 (0.62) PTGS2PLA2G2APTGESALOX5THRA
SCHEMBL3242276 0.90 PTGS2 (0.60) PTGS2LMNAKMT2APLA2G2APTGES
SCHEMBL8876716 0.88 PLA2G2A (0.59) PTGS2MEN1RGS12ALDH1A1LMNA
SCHEMBL8877993 0.87 PLA2G2A (0.63) PTGS2MEN1RGS12ALDH1A1LMNA
SCHEMBL8877434 0.86 PLA2G2A (0.62) PTGS2PLA2G2ATHRATHRB
SCHEMBL3246589 0.86 PTGS2 (0.80) PTGS2MEN1RGS12ALDH1A1LMNA
SCHEMBL8878179 0.85 PTGS2 (0.54) PTGS2MEN1RGS12ALDH1A1LMNA
SCHEMBL8876622 0.84 PLA2G2A (0.60) PTGS2LMNAKMT2APLA2G2APTGES
SCHEMBL8876342 0.83 PLA2G2A (0.59) PTGS2MEN1RGS12ALDH1A1LMNA

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 10 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
WO-1996037469-A1 N-BENZYLINDOL-3-YL PROPANIC ACID DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-11-28 WO claimed
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
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
WO-2000044225-A1 TREATING CANCERS ASSOCIATED WITH OVEREXPRESSION OF HER-2/neu CORNELL RESEARCH FOUNDATION, INC. (US) 2000-08-03 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