SCHEMBL11046265

SCHEMBL11046265

O=C(NC1CCCCC1)NC1CCC(NC(=O)NC2CCCCC2)CC1

nearest known ligand 0.94

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 14/20 0.94
EPHX2 P34913 5/20 0.94
NPC1 O15118 3/20 0.94
RAB9A P51151 2/20 0.94
SMN1; SMN2 Q16637 2/20 0.94
KDM4E B2RXH2 2/20 0.94
ALDH1A1 P00352 2/20 0.94
CYP3A4 P08684 1/20 0.94
MAPT P10636 1/20 0.67
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.59
CYP2D6 P10635 1/20 0.59

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
SCHEMBL15277551 1.00 EPHX1 (0.94) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL11046261 1.00 EPHX1 (0.94) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL15262530 1.00 EPHX1 (0.94) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL15277631 1.00 EPHX1 (0.94) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL23960132 0.97 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL12196125 0.97 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL12196101 0.97 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL24308699 0.97 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL15093798 0.97 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
1,3-Dicyclohexylurea SCHEMBL2755 0.97 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4486603-A Preparation of trans cyclohexane 1,4-diamine AKZONA INCORPORATED (US) 1984-12-04 US disclosed
US-4467114-A Preparation of trans cyclohexane 1,4-diurea AKZONA INCORPORATED (US) 1984-08-21 US disclosed
US-4457871-A Preparation of trans cyclohexane,1,4-diisocyanate and related compounds AKZONA INCORPORATED (US) 1984-07-03 US disclosed
US-4439370-A Preparation of trans cyclohexane 1,4-diisocyanate AKZONA INCORPORATED (US) 1984-03-27 US disclosed
US-4418211-A Preparation of trans-cyclohexane-1,4-disulphonyl urea AKZONA INCORPORATED (US) 1983-11-29 US disclosed
US-4275223-A Preparation of trans-cyclohexane-1,4-diurethanes AKZONA INCORPORATED (US) 1981-06-23 US disclosed
US-4203916-A Preparation of trans cyclohexane 1,4 diisocyanate AKZONA INCORPORATED (US) 1980-05-20 US disclosed