Dicyclohexylcarbodiimide

Dicyclohexylcarbodiimide

SCHEMBL6562192

C(=NC1CCCCC1)=NC1CCCCC1.O=P(O)(O)O.c1ccncc1.c1ccncc1.c1ccncc1

nearest known ligand 0.50

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Known targets — ChEMBL curated mechanism

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

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 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
HIF1A Q16665 1/20 0.50
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.30
NAPRT Q6XQN6 1/20 0.30
TDP1 Q9NUW8 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
Dicyclohexylcarbodiimide SCHEMBL6562189 1.00 EPHX1 (0.50) EPHX1HIF1AALDH1A1SMN1; SMN2L3MBTL1
Dicyclohexylcarbodiimide SCHEMBL9502519 0.84 EPHX1 (0.71) EPHX1HIF1AALDH1A1
Dicyclohexylcarbodiimide SCHEMBL3898262 0.76 EPHX1 (0.39) EPHX1HIF1AALDH1A1
Dicyclohexylcarbodiimide SCHEMBL10525266 0.75 EPHX1 (0.88) EPHX1HIF1AALDH1A1
Dicyclohexylcarbodiimide SCHEMBL3757858 0.73 EPHX1 (0.83) EPHX1HIF1AALDH1A1
Dicyclohexylcarbodiimide SCHEMBL9158267 0.71 EPHX1 (0.88) EPHX1HIF1AALDH1A1
SCHEMBL15667923 0.71 EPHX1 (1.00) EPHX1HIF1AALDH1A1
Dicyclohexylcarbodiimide SCHEMBL303 0.71 EPHX1 (1.00) EPHX1HIF1AALDH1A1
SCHEMBL21986399 0.71 EPHX1 (1.00) EPHX1HIF1AALDH1A1
Pyridine SCHEMBL273314 0.71 NAPRT (0.60) ALDH1A1SMN1; SMN2TSHRNAPRTTDP1

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
EP-1397373-A1 IMPROVED SYNTHESIS OF ALLOFURANOSE Santaris Pharma A/S (DK) 2004-03-17 EP disclosed
WO-2002098892-A1 IMPROVED SYNTHESIS OF ALLOFURANOSE SANTARIS PHARMA A/S (DK) 2002-12-12 WO disclosed