SCHEMBL11313784

SCHEMBL11313784

CCCCCCCCCCCCC(CC(=O)O)OCCOCCOCCOCCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
THRB P10828 1/20 0.50
HTT P42858 1/20 0.50
GPR84 Q9NQS5 5/20 0.46
TSHR P16473 2/20 0.42
MAPK1 P28482 4/20 0.40
GMNN O75496 3/20 0.40
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
CYP1A2 P05177 2/20 0.40
HSP90AA1 P07900 2/20 0.40
BLM P54132 2/20 0.40
NR1H4 Q96RI1 2/20 0.40
TP53 P04637 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
GLA P06280 1/20 0.39
PMP22 Q01453 1/20 0.39

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
SCHEMBL12599511 0.91 GPR84 (0.51) MAPTMEN1KMT2AGPR84TSHR
SCHEMBL5143693 0.86 MEN1 (0.62) MAPTMEN1KMT2ATHRBHTT
SCHEMBL1626655 0.86 MEN1 (0.62) MAPTMEN1KMT2ATHRBHTT
SCHEMBL1626703 0.86 MEN1 (0.62) MAPTMEN1KMT2ATHRBHTT
SCHEMBL1628205 0.86 MEN1 (0.62) MAPTMEN1KMT2ATHRBHTT
SCHEMBL17336065 0.86 MEN1 (0.62) MAPTMEN1KMT2ATHRBHTT
SCHEMBL5146487 0.86 MEN1 (0.62) MAPTMEN1KMT2ATHRBHTT
SCHEMBL1629712 0.86 MEN1 (0.62) MAPTMEN1KMT2ATHRBHTT
SCHEMBL1628590 0.86 MEN1 (0.62) MAPTMEN1KMT2ATHRBHTT
SCHEMBL5142077 0.86 MEN1 (0.62) MAPTMEN1KMT2ATHRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4277396-A FOR POLYACRYLONITRILE AND ACID-MODIFIED POLYAMIDES AND POLYESTERS BAYER AKTIENGESELLSCHAFT (DE) 1981-07-07 US disclosed
US-4145537-A BENZOTHIAZOLIUM DYES BAYER AKTIENGESELLSCHAFT (DE) 1979-03-20 US disclosed
US-4051117-A Triazole-azo-phenyl cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed
US-4039526-A PRINTING, POLYACRYLONITRILE, POLYESTERS, POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 US disclosed
US-4020063-A Oxadiazepine cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-04-26 US disclosed
US-4006127-A Cationic diazacyanine dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 US disclosed
US-4000130-A INDOLE DYES, POLYACRYLONITRILE BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 US disclosed
US-4000141-A SUBSTITUTED TETRAHYDRO QUINOLINE CATIONIC DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 US disclosed