SCHEMBL9562021

SCHEMBL9562021

CCOOCCCCCCOOCC

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL15658426 0.91 THRB (0.47) MEN1THRBHTTKMT2AMAPT
SCHEMBL6257647 0.91 THRB (0.47) MEN1THRBHTTKMT2AMAPT
SCHEMBL15732304 0.91 THRB (0.47) MEN1THRBHTTKMT2AMAPT
SCHEMBL15659328 0.91 THRB (0.47) MEN1THRBHTTKMT2AMAPT
SCHEMBL34503 0.91 THRB (0.47) MEN1THRBHTTKMT2AMAPT
SCHEMBL4450824 0.91 THRB (0.47) MEN1THRBHTTKMT2AMAPT
SCHEMBL15657531 0.91 THRB (0.47) MEN1THRBHTTKMT2AMAPT
SCHEMBL4441174 0.91 THRB (0.47) MEN1THRBHTTKMT2AMAPT
SCHEMBL1458323 0.91 THRB (0.47) MEN1THRBHTTKMT2AMAPT
SCHEMBL264986 0.91 THRB (0.47) MEN1THRBHTTKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5208315-A Polyurea-urethane copolymers containing diisocyanato dicyclohexylmethane, diols and diamines MILES INC. (US) 1993-05-04 US disclosed
EP-0536604-A2 Elastomers based on 4,4'-diisocyanato dicyclohexylmethane enriched in the trans, trans isomer which contain essentially no chain extenders Bayer Corporation (US) 1993-04-14 EP disclosed