SCHEMBL7801103

SCHEMBL7801103

CCCCN(CCCC)c1ccc2c(c1)O/C(=C1\Oc3cc(N(CCCC)CCCC)ccc3C1=O)C2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.40
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAOB P27338 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 3/20 0.37
IGLV6-57 P01721 2/20 0.37
SLC16A3 O15427 2/20 0.36
SLC16A1 P53985 2/20 0.36
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CASP1 P29466 3/20 0.35
CASP7 P55210 3/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 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
SCHEMBL7799194 1.00 AR (0.40) ARALDH1A1KDM4EPOLBGAA
SCHEMBL7799193 1.00 AR (0.40) ARALDH1A1KDM4EPOLBGAA
SCHEMBL7799216 0.96 SLC16A3 (0.37) ARALDH1A1KDM4EPOLBGAA
SCHEMBL7793600 0.96 SLC16A3 (0.37) ARALDH1A1KDM4EPOLBGAA
SCHEMBL7793601 0.96 SLC16A3 (0.37) ARALDH1A1KDM4EPOLBGAA
SCHEMBL7793667 0.94 SLC16A3 (0.37) ARALDH1A1KDM4EPOLBGAA
SCHEMBL7793569 0.94 SLC16A3 (0.37) ARALDH1A1KDM4EPOLBGAA
SCHEMBL7799395 0.94 SLC16A3 (0.37) ARALDH1A1KDM4EPOLBGAA
SCHEMBL7793550 0.94 SLC16A3 (0.37) ARALDH1A1KDM4EPOLBGAA
SCHEMBL7801128 0.94 SLC16A3 (0.37) ARALDH1A1KDM4EPOLBGAA

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