SCHEMBL7799213

SCHEMBL7799213

CCCN(CCC)c1ccc2c(c1)OC(=C1Oc3cc(N(CCC)CCC)ccc3C1=O)C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGLV6-57 P01721 2/20 0.45
MAOB P27338 4/20 0.39
AR P10275 3/20 0.38
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 4/20 0.36
MAPT P10636 4/20 0.36
KMT2A Q03164 4/20 0.36
HSD17B10 Q99714 3/20 0.36
HPGD P15428 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MAPK1 P28482 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
GLA P06280 2/20 0.36
CYP3A4 P08684 2/20 0.36
ATM Q13315 1/20 0.36
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 2/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 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
SCHEMBL7799208 1.00 IGLV6-57 (0.45) IGLV6-57MAOBARALDH1A1MEN1
SCHEMBL7799406 1.00 IGLV6-57 (0.45) IGLV6-57MAOBARALDH1A1MEN1
SCHEMBL7799210 0.92 IGLV6-57 (0.40) IGLV6-57MAOBARALDH1A1MEN1
SCHEMBL8060265 0.92 IGLV6-57 (0.40) IGLV6-57MAOBARALDH1A1MEN1
SCHEMBL7799407 0.92 IGLV6-57 (0.40) IGLV6-57MAOBARALDH1A1MEN1
SCHEMBL7799193 0.91 AR (0.40) IGLV6-57MAOBARALDH1A1MEN1
SCHEMBL7801103 0.91 AR (0.40) IGLV6-57MAOBARALDH1A1MEN1
SCHEMBL7799194 0.91 AR (0.40) IGLV6-57MAOBARALDH1A1MEN1
SCHEMBL7793600 0.90 SLC16A3 (0.37) IGLV6-57MAOBARALDH1A1MEN1
SCHEMBL7793601 0.90 SLC16A3 (0.37) IGLV6-57MAOBARALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900255-B1 DONOR-SUBSTITUTED OXINDIGO DERIVATIVES AND THEIR USE AS COLOURANTS CIBA SC HOLDING AG (CH) 2001-12-19 EP disclosed
US-6156914-A Donor-substituted oxindigo derivatives and their use as colorants CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-12-05 US disclosed
EP-0900255-A1 DONOR-SUBSTITUTED OXINDIGO DERIVATIVES AND THEIR USE AS COLOURANTS Ciba SC Holding AG (CH) 1999-03-10 EP disclosed
WO-1997041176-A1 DONOR-SUBSTITUTED OXINDIGO DERIVATIVES AND THEIR USE AS COLOURANTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1997-11-06 WO disclosed