SCHEMBL6404565

SCHEMBL6404565

NC(C1CCCCCCCCC1)(C1CCCCCCCCC1)C1CCCCCCCCC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SIGMAR1 Q99720 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL19044337 1.00 THRB (0.33) THRBMEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL6839594 1.00 THRB (0.33) THRBMEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL27227 0.79 THRB (0.33) THRBMEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL3357989 0.79 THRB (0.33) THRBMEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL9618005 0.79 THRB (0.33) THRBMEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL23059323 0.73 ALDH1A1 (0.50) THRBMEN1KMT2AALDH1A1
SCHEMBL670618 0.73 ALDH1A1 (0.33) THRBMEN1KMT2AALDH1A1
SCHEMBL635368 0.73 ALDH1A1 (0.33) THRBMEN1KMT2AALDH1A1
SCHEMBL22727310 0.73 ALDH1A1 (0.50) THRBMEN1KMT2AALDH1A1
SCHEMBL21539285 0.73 ALDH1A1 (0.50) THRBMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed
EP-0294641-A2 Polyaralkylated hydroxybenzamides, process for their preparation and their use BAYER AG (DE) 1988-12-14 EP disclosed
EP-0026983-B1 POLYCYCLIC POLYAMINES, PROCESS FOR THEIR PREPARATION AND EPOXY RESINS CURED BY THESE POLYAMINES HENKEL CORPORATION (a Delaware corp.) (US) 1983-03-23 EP disclosed