SCHEMBL7547990

SCHEMBL7547990

CCCCCCCCCCCCC[N+](C)(C)CCCC.CCCCOS(=O)(=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.65
GLA P06280 1/20 0.65
HPGD P15428 1/20 0.65
TSHR P16473 1/20 0.65
MAPK1 P28482 1/20 0.65
EPHX2 P34913 1/20 0.65
BLM P54132 1/20 0.65
DNM1 Q05193 7/20 0.55
HTT P42858 2/20 0.52
KMT2A Q03164 1/20 0.44
CA1 P00915 7/20 0.43
CA2 P00918 7/20 0.43
CA9 Q16790 6/20 0.43
CA12 O43570 3/20 0.43
CA7 P43166 3/20 0.43
CA14 Q9ULX7 3/20 0.43
CA3 P07451 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA5A P35218 2/20 0.43

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
SCHEMBL6556824 0.95 RECQL (0.67) RECQLGLAHPGDTSHRMAPK1
SCHEMBL30277964 0.95 RECQL (0.67) RECQLGLAHPGDTSHRMAPK1
SCHEMBL6558675 0.95 RECQL (0.67) RECQLGLAHPGDTSHRMAPK1
Didecyldimethylammonium SCHEMBL4446721 0.95 RECQL (0.72) RECQLGLAHPGDTSHRMAPK1
SCHEMBL1964577 0.91 RECQL (0.61) RECQLGLAHPGDTSHRMAPK1
SCHEMBL10614393 0.91 RECQL (0.61) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4407998 0.88 RECQL (0.67) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4411975 0.88 RECQL (0.67) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4585899 0.86 HTT (0.56) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4411991 0.84 RECQL (0.72) RECQLGLAHPGDTSHRMAPK1

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
EP-0667366-B1 Process for the production of aromatic polycarbonate TEIJIN LTD (JP) 2002-06-26 EP disclosed
US-5516878-A CATALYTIC ESTER INTERCHANGE USING AN ALKALI METAL SALT OF AN ATE-COMPLEX OF A METAL SELECTED FROM SILICON, GERMANIUM, TIN, OR LEAD TEIJIN LIMITED (JP) 1996-05-14 US disclosed
EP-0667366-A2 Process for the production of aromatic polycarbonate TEIJIN LIMITED (JP) 1995-08-16 EP disclosed