SCHEMBL5499409

SCHEMBL5499409

Cc1ccc2[nH]c(C)c(CCC(=O)O)c2c1Cc1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.50
FFAR1 O14842 6/20 0.44
APEX1 P27695 1/20 0.43
GPR17 Q13304 5/20 0.43
FFAR4 Q5NUL3 2/20 0.38
PTPN5 P54829 1/20 0.38
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
KDR P35968 1/20 0.38
EGFR P00533 2/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL5498679 0.86 TBXAS1 (0.47) TBXAS1FFAR1APEX1GPR17FFAR4
SCHEMBL7699710 0.74 AKR1C2 (0.46) TBXAS1PTPN5PDE3BPDE3ACYP1A2
SCHEMBL18509470 0.73 APEX1 (0.59) TBXAS1FFAR1APEX1GPR17PDGFRB
SCHEMBL21392019 0.72 GPR17 (0.51) FFAR1APEX1GPR17EGFRCYP1A2
SCHEMBL18509467 0.70 APEX1 (0.44) TBXAS1APEX1GPR17EGFR
SCHEMBL5503081 0.69 PTPN5 (0.41) TBXAS1PTPN5PDE3BPDE3A
SCHEMBL5500896 0.69 PTPN5 (0.41) TBXAS1PTPN5PDE3BPDE3A
SCHEMBL18509955 0.69 HTR2A (0.63) TBXAS1APEX1GPR17EGFR
SCHEMBL7931226 0.69 MME (0.40) PTPN5CYP1A2
SCHEMBL5500665 0.68 PTPN5 (0.41) TBXAS1PTPN5PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1146789-A1 TREATING CANCERS ASSOCIATED WITH OVEREXPRESSION OF HER-2/NEU CORNELL RESEARCH FOUNDATION, INC. (US) 2001-10-24 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-1999030721-A1 CYCLOOXYGENASE-2 INHIBITION CORNELL RESEARCH FOUNDATION, INC. (US) 1999-06-24 WO disclosed