SCHEMBL7786356

SCHEMBL7786356

COCC(=O)NCCCCCCNC(=O)COC

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 1/20 0.52
EPHX1 P07099 6/20 0.48
CASP2 P42575 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
NAAA Q02083 1/20 0.45
SPR P35270 1/20 0.45
PAOX Q6QHF9 1/20 0.40

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
SCHEMBL8537389 1.00 FAAH (0.55) FAAHMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8326097 0.93 TSHR (0.54) FAAHMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL22525935 0.92 KDM4E (0.64) FAAHMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL22790988 0.92 KDM4E (0.64) FAAHMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2719632 0.92 FAAH (0.68) FAAHMEN1KMT2AEPHX1CASP2
SCHEMBL24029657 0.92 KDM4E (0.64) FAAHMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL22144502 0.92 FAAH (0.49) FAAHMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL22856469 0.92 MEN1 (0.68) FAAHMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL24098140 0.92 FAAH (0.68) FAAHMEN1KMT2AEPHX1CASP2
SCHEMBL15888717 0.92 FAAH (0.68) FAAHMEN1KMT2AEPHX1CASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0795544-B1 Process for the thermal decomposition of carbamic esters BAYER AG (DE) 2001-10-31 EP disclosed
EP-0795543-B1 Use of high boiling solvents or solvent mixtures as heat exchange medium in the thermal decomposition of carbamic esters BAYER AG (DE) 2001-10-31 EP disclosed
US-5883291-A Heat exchange media for the thermal cracking of carbamic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1999-03-16 US disclosed
US-5731458-A Process for thermally cracking carbamic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
EP-0795543-A1 Use of high boiling solvents or solvent mixtures as heat exchange medium in the thermal decomposition of carbamic esters BAYER AG (DE) 1997-09-17 EP disclosed
EP-0795544-A1 Process for the thermal decomposition of carbamic esters BAYER AG (DE) 1997-09-17 EP disclosed
EP-0542106-B1 Process for the preparation of polyisocyanates BAYER AG (DE) 1995-12-27 EP disclosed
EP-0396977-B1 Process for the preparation of polyisocyanates BAYER AG (DE) 1994-06-15 EP disclosed
US-5284969-A Thermal decomposition of the corresponding carbamic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1994-02-08 US disclosed
EP-0542106-A2 Process for the preparation of polyisocyanates BAYER AG (DE) 1993-05-19 EP disclosed
US-5043471-A Process for the preparation of polyisocyanates BAYER AKTIENGESELLSCHAFT (DE) 1991-08-27 US disclosed
EP-0396977-A2 Process for the preparation of polyisocyanates BAYER AG (DE) 1990-11-14 EP disclosed
EP-0396976-A2 Process for the preparation of polyisocyanates BAYER AG (DE) 1990-11-14 EP disclosed