SCHEMBL6289645

SCHEMBL6289645

CCCCNC(=O)NCC(C)(C)CO

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.57
KDM4C Q9H3R0 1/20 0.42
ACHE P22303 2/20 0.41
MMP2 P08253 2/20 0.41
MMP1 P03956 1/20 0.41
EPHX2 P34913 1/20 0.40

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
SCHEMBL6289551 0.85 EPHX1 (0.57) EPHX1KDM4CACHEMMP2MMP1
SCHEMBL9682352 0.84 SMN1; SMN2 (0.39) EPHX1KDM4C
SCHEMBL6280219 0.84 EPHX1 (0.55) EPHX1KDM4CACHEMMP2MMP1
SCHEMBL6289592 0.84 EPHX1 (0.55) EPHX1KDM4CACHEMMP2MMP1
SCHEMBL6287612 0.83 EPHX1 (0.59) EPHX1ACHEMMP2MMP1
SCHEMBL6286863 0.82 EPHX1 (0.53) EPHX1KDM4CACHEMMP2MMP1
SCHEMBL622102 0.80 SMN1; SMN2 (0.34) EPHX1KDM4CMMP2MMP1EPHX2
SCHEMBL6283759 0.80 EPHX1 (0.55) EPHX1ACHEMMP2MMP1EPHX2
SCHEMBL320112 0.79 EPHX1 (0.85) EPHX1ACHEMMP2MMP1
SCHEMBL30786047 0.77 EPHX1 (0.90) EPHX1ACHEMMP2MMP1EPHX2

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