SCHEMBL6287631

SCHEMBL6287631

CCCCNC(=O)NCCCS

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.68
MMP2 P08253 2/20 0.47
MMP1 P03956 1/20 0.47
ACHE P22303 3/20 0.47
EPHX2 P34913 3/20 0.45

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
SCHEMBL6289712 0.93 EPHX1 (0.72) EPHX1MMP2MMP1ACHEEPHX2
SCHEMBL6290254 0.91 EPHX1 (0.76) EPHX1EPHX2
SCHEMBL6290290 0.91 EPHX1 (0.68) EPHX1MMP2MMP1ACHEEPHX2
SCHEMBL320112 0.88 EPHX1 (0.85) EPHX1MMP2MMP1ACHE
SCHEMBL6286919 0.86 EPHX1 (0.52) EPHX1EPHX2
SCHEMBL30786047 0.85 EPHX1 (0.90) EPHX1MMP2MMP1ACHEEPHX2
SCHEMBL9323761 0.83 EPHX1 (0.82) EPHX1MMP2MMP1ACHEEPHX2
SCHEMBL17133784 0.83 EPHX1 (0.95) EPHX1EPHX2
SCHEMBL25227097 0.81 EPHX1 (1.00) EPHX1EPHX2
SCHEMBL969649 0.81 EPHX1 (0.74) EPHX1MMP2MMP1ACHEEPHX2

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
US-9700492-B2 Dental composites systems and methods of making the same and using same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2017-07-11 US 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