SCHEMBL6287716

SCHEMBL6287716

CCCCC(CC)C(NC)C(CC)CNC(=O)NC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.35
CA2 P00918 7/20 0.34
CA1 P00915 4/20 0.34
MAPK1 P28482 1/20 0.33
DPP7 Q9UHL4 1/20 0.32
CTSK P43235 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP14 P50281 1/20 0.31

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
SCHEMBL6290130 0.89 EPHX1 (0.37) EPHX1CA2CA1MAPK1DPP7
SCHEMBL6290213 0.88 EPHX1 (0.46) EPHX1DPP7MMP9MMP8MMP14
SCHEMBL6287183 0.88 EPHX1 (0.33) EPHX1CA2CA1MAPK1DPP7
SCHEMBL6289689 0.87 EPHX1 (0.36) EPHX1CA2CA1MAPK1DPP7
SCHEMBL6286822 0.84 CA2 (0.40) CA2CA1MAPK1DPP7ALDH1A1
SCHEMBL6286832 0.83 EPHX1 (0.36) EPHX1CA2CA1MAPK1DPP7
SCHEMBL6283830 0.77 EPHX1 (0.37) EPHX1CA2CA1MAPK1DPP7
SCHEMBL6287256 0.76 EPHX1 (0.46) EPHX1DPP7ALDH1A1TSHRMMP9
SCHEMBL6284513 0.76 HSD17B10 (0.31) EPHX1
SCHEMBL22203906 0.75 TSHR (0.53) EPHX1CA2MAPK1ALDH1A1CYP3A4

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
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