SCHEMBL5250676

SCHEMBL5250676

CCCCNCC(C)(CNCCCC)COC(=O)NC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
ACHE P22303 14/20 0.40
TSHR P16473 2/20 0.36
LMNA P02545 2/20 0.36
CYP3A4 P08684 1/20 0.36
NFKB1 P19838 1/20 0.36
ADRA1A P35348 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL5250402 0.87 EPHX1 (0.46) EPHX1ACHETSHRNFKB1POLB
SCHEMBL5247798 0.87 ACHE (0.47) EPHX1ACHETSHRLMNACYP3A4
SCHEMBL5248355 0.87 ACHE (0.56) EPHX1ACHE
SCHEMBL5244937 0.85 EPHX1 (0.47) EPHX1ACHETSHRNFKB1POLB
SCHEMBL5249789 0.83 EPHX1 (0.39) EPHX1TSHRLMNACYP3A4NFKB1
SCHEMBL5244778 0.83 EPHX1 (0.45) EPHX1ACHETSHRNFKB1POLB
SCHEMBL6287636 0.82 LMNA (0.56) ACHETSHRLMNACYP3A4NFKB1
SCHEMBL5246050 0.79 ACHE (0.54) EPHX1ACHE
SCHEMBL5249266 0.77 ACHE (0.56) EPHX1ACHE
SCHEMBL5249089 0.77 NFKB1 (0.39) EPHX1TSHRLMNACYP3A4NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379598-B1 UNSATURATED COMPOUNDS CONTAINING CARBAMATE TERMINAL GROUPS OR UREA TERMINAL GROUPS BASF AG (DE) 2007-09-12 EP disclosed
US-6916854-B2 Heat and/or light curable films or coatings comprising polyurethanes or polyureaurethane copolymers having storage stability, used as automobile paints BASF AKTIENGESELLSCHAFT (DE) 2005-07-12 US disclosed
US-20040097642-A1 Unsaturated compounds containing carbamate terminal groups or urea terminal groups BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed