Dicyclohexylcarbodiimide

Dicyclohexylcarbodiimide

SCHEMBL3898262

C(=NC1CCCCC1)=NC1CCCCC1.C[S+](C)[O-].O=C(O)C(F)(F)F.c1ccncc1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MAP2K1MAP2K2

The experimentally established mechanism targets of Dicyclohexylcarbodiimide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
HIF1A Q16665 1/20 0.39
DPP4 P27487 2/20 0.31
DPP7 Q9UHL4 2/20 0.31
ALDH1A1 P00352 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
Biphenyl SCHEMBL3898259 0.82 DPP4 (0.30) DPP4DPP7ALDH1A1
Dicyclohexylcarbodiimide SCHEMBL8508859 0.80 EPHX1 (0.60) EPHX1HIF1AALDH1A1
Dicyclohexylcarbodiimide SCHEMBL6562189 0.76 EPHX1 (0.50) EPHX1HIF1AALDH1A1
Dicyclohexylcarbodiimide SCHEMBL6562192 0.76 EPHX1 (0.50) EPHX1HIF1AALDH1A1
Dicyclohexylcarbodiimide SCHEMBL177067 0.73 EPHX1 (0.71) EPHX1HIF1AALDH1A1
Dicyclohexylcarbodiimide SCHEMBL5967555 0.73 EPHX1 (0.71) EPHX1HIF1AALDH1A1
Dicyclohexylcarbodiimide SCHEMBL5178296 0.70 EPHX1 (0.60) EPHX1HIF1AALDH1A1
Trifluoroacetic Acid SCHEMBL16824180 0.68 NAPRT (0.50) ALDH1A1
Trifluoroacetic Acid SCHEMBL9068482 0.68 NAPRT (0.50) ALDH1A1
Trifluoroacetic Acid SCHEMBL158703 0.68 NAPRT (0.50) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501846-B1 TRICYCLIC MACROLIDE ANTIBACTERIAL COMPOUNDS ABBOTT LAB (US) 2009-03-18 EP disclosed
EP-1501846-A1 TRICYCLIC MACROLIDE ANTIBACTERIAL COMPOUNDS Abbott Laboratories (US) 2005-02-02 EP disclosed
WO-2003093289-A1 TRICYCLIC MACROLIDE ANTIBACTERIAL COMPOUNDS ABBOTT LABORATORIES (US) 2003-11-13 WO disclosed
US-5326902-A Oxyalkyne compounds, pharmaceutical compositions containing them and processes for preparing such compounds and compositions GRUENENTHAL GMBH (DE) 1994-07-05 US disclosed
CN-1076452-A 3,4 '-dideoxy mycaminose base tylosin cyclic lactone derivatives and manufacture method thereof ZAIDAN HOJIN BISEIBUTSU (JP) 1993-09-22 CN disclosed
EP-0035355-B1 MODIFIED ALUMINIUM HYDRIDES, THEIR PREPARATION AND THEIR USE IN REDUCING ACETYLNAPHTHALENE DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-05-09 EP disclosed
US-4418218-A REDUCTION WITH LITHIUM ALUMINUM HYDRIDE AND N-SUBSTITUTED EPHEDRINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-11-29 US disclosed
US-4338255-A Modified lithium aluminum hydrides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-07-06 US disclosed
EP-0035355-A2 Modified aluminium hydrides, their preparation and their use in reducing acetylnaphthalene derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-09-09 EP disclosed
US-4233222-A Cyclopentylacetic acid derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-11-11 US disclosed
US-4210669-A Prostanoic acid derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-07-01 US disclosed