SCHEMBL6729614

SCHEMBL6729614

CCCC[P+](CCCC)(CCCC)CCCC.O=C(O)COc1cccc(S(=O)(=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.51
PPARG P37231 1/20 0.51
PLA2G4B P0C869 1/20 0.49
LMNA P02545 1/20 0.47
PTGIR P43119 1/20 0.45
CA12 O43570 5/20 0.45
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CA4 P22748 5/20 0.45
CA9 Q16790 5/20 0.45
PSEN1 P49768 6/20 0.44
PSEN2 P49810 6/20 0.44
APH1B Q8WW43 6/20 0.44
NCSTN Q92542 6/20 0.44
APH1A Q96BI3 6/20 0.44
PSENEN Q9NZ42 6/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.42
KAT6A Q92794 1/20 0.42

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
SCHEMBL9357933 0.83 ALDH1A1 (0.41) PPARAPPARGPLA2G4BLMNAPTGIR
Tetraphenylphosphonium SCHEMBL6733327 0.80 ALOX15 (0.49) PPARAPPARGLMNACA12CA1
SCHEMBL6552438 0.79 CYP2C19 (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL31425580 0.76 NR1I2 (0.41) LMNACA2TSHR
SCHEMBL3473284 0.76 NR1I2 (0.50) CA2ALDH1A1TSHR
SCHEMBL3944685 0.76 KDM4E (0.46) CA12CA1CA2CA9ALDH1A1
SCHEMBL6729616 0.74 PPARA (0.51) PPARAPPARGPLA2G4BLMNAPTGIR
SCHEMBL9354238 0.73 LMNA (0.58) PPARAPPARGPLA2G4BLMNACA12
SCHEMBL5434776 0.73 PLA2G4B (0.81) PPARAPPARGPLA2G4BLMNATSHR
Tetraphenylphosphonium SCHEMBL9357329 0.73 S1PR3 (0.39) LMNACA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6761968-B2 FOR A HEAT-SENSITIVE TRANSFER RIBBON; INERT INORGANIC PARTICLES TEIJIN LIMITED (JP) 2004-07-13 US disclosed
US-20040028925-A1 Heat sensitive element transferring films TEIJIN LIMITED (JP) 2004-02-12 US disclosed
EP-1350613-A1 BIAXIALLY ORIENTED POLYESTER FILM TEIJIN LIMITED (JP) 2003-10-08 EP disclosed