SCHEMBL6286863

SCHEMBL6286863

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.53
KDM4C Q9H3R0 1/20 0.40
TSHR P16473 2/20 0.39
MMP2 P08253 2/20 0.39
MMP1 P03956 1/20 0.39
ACHE P22303 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
ALB P02768 1/20 0.38
CYP2C9 P11712 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
EPHX2 P34913 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
SCHEMBL6280219 0.91 EPHX1 (0.55) EPHX1KDM4CTSHRMMP2MMP1
SCHEMBL6287085 0.86 EPHX1 (0.53) EPHX1KDM4CTSHRMMP2MMP1
SCHEMBL6284448 0.86 EPHX1 (0.44) EPHX1TSHRMMP2MMP1ACHE
SCHEMBL6289685 0.84 EPHX1 (0.55) EPHX1TSHRMMP2MMP1ACHE
SCHEMBL6289592 0.84 EPHX1 (0.55) EPHX1KDM4CMMP2MMP1ACHE
SCHEMBL6290154 0.83 SMN1; SMN2 (0.37) EPHX1TSHRMMP2MMP1ALDH1A1
SCHEMBL6289645 0.82 EPHX1 (0.57) EPHX1KDM4CMMP2MMP1ACHE
SCHEMBL6284949 0.81 EPHX1 (0.52) EPHX1TSHRMMP2MMP1ACHE
SCHEMBL6287199 0.79 EPHX1 (0.40) EPHX1TSHRMMP2MMP1ACHE
SCHEMBL6285746 0.78 HSD17B10 (0.36) TSHR

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