SCHEMBL6239754

SCHEMBL6239754

CCC(Oc1cc(Br)ccc1Br)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
PPARA Q07869 6/20 0.44
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.39
PPARG P37231 4/20 0.38
LDHA P00338 1/20 0.38
PTGDR2 Q9Y5Y4 4/20 0.37
PTPN1 P18031 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
LTB4R Q15722 1/20 0.35

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
SCHEMBL27971306 0.88 SMN1; SMN2 (0.51) SMN1; SMN2PPARALMNAATMPPARG
SCHEMBL4816543 0.84 SMN1; SMN2 (0.46) SMN1; SMN2PPARALMNAPTGDR2CYSLTR2
SCHEMBL4816920 0.83 PPARA (0.59) SMN1; SMN2PPARALMNAPPARGPTGDR2
SCHEMBL4812741 0.83 SMN1; SMN2 (0.48) SMN1; SMN2PPARALMNAATMPPARG
SCHEMBL4819977 0.82 PPARA (0.50) SMN1; SMN2PPARALMNAPPARG
SCHEMBL21057144 0.82 PPARA (0.50) SMN1; SMN2PPARALMNAPPARG
SCHEMBL21057134 0.82 PPARA (0.49) SMN1; SMN2PPARAPPARGPTGDR2
SCHEMBL21057136 0.82 SMN1; SMN2 (0.47) SMN1; SMN2PPARALMNAATMPPARG
SCHEMBL21057133 0.82 SMN1; SMN2 (0.47) SMN1; SMN2PPARALMNAATMPPARG
SCHEMBL4817990 0.82 PPARA (0.49) SMN1; SMN2PPARAPPARGPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005010081-A1 AROMATIC MONOMER-AND CONJUGATED POLYMER-METAL COMPLEXES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-02-03 WO disclosed
US-20050014023-A1 Aromatic monomer- and conjugated polymer-metal complexes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-01-20 US disclosed