SCHEMBL6287085

SCHEMBL6287085

CCCCNC(=O)NCC(C)(CNCC)CNCC

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.53
KDM4C Q9H3R0 1/20 0.40
TSHR P16473 1/20 0.39
MMP2 P08253 2/20 0.39
MMP1 P03956 1/20 0.39
EPHX2 P34913 3/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL6284150 0.91 EPHX1 (0.55) EPHX1KDM4CMMP2MMP1EPHX2
SCHEMBL6286863 0.86 EPHX1 (0.53) EPHX1KDM4CTSHRMMP2MMP1
SCHEMBL6287185 0.86 EPHX1 (0.44) EPHX1KDM4CTSHRMMP2MMP1
SCHEMBL6289685 0.84 EPHX1 (0.55) EPHX1TSHRMMP2MMP1EPHX2
SCHEMBL6287780 0.84 EPHX1 (0.55) EPHX1KDM4CMMP2MMP1EPHX2
SCHEMBL6284424 0.83 MCL1 (0.33) EPHX1MMP2MMP1EPHX2
SCHEMBL6289551 0.82 EPHX1 (0.57) EPHX1KDM4CMMP2MMP1EPHX2
SCHEMBL6284949 0.81 EPHX1 (0.52) EPHX1TSHRMMP2MMP1EPHX2
SCHEMBL6290264 0.79 EPHX1 (0.40) EPHX1KDM4CTSHRMMP2MMP1
SCHEMBL6285506 0.78 HSD17B10 (0.31)

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