SCHEMBL6287542

SCHEMBL6287542

CCCCNCC(CNCCCC)(CNCCCC)CNC(=O)NC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.41
MMP2 P08253 2/20 0.36
MMP1 P03956 1/20 0.36
TSHR P16473 1/20 0.35
PAOX Q6QHF9 1/20 0.35
ACHE P22303 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.34
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL6286748 0.93 EPHX1 (0.39) EPHX1MMP2MMP1TSHRPAOX
SCHEMBL6289560 0.87 EPHX1 (0.57) EPHX1MMP2MMP1PAOXACHE
SCHEMBL6289714 0.86 EPHX1 (0.46) EPHX1MMP2MMP1TSHRPAOX
SCHEMBL6290264 0.84 EPHX1 (0.40) EPHX1MMP2MMP1TSHRPAOX
SCHEMBL6287199 0.84 EPHX1 (0.40) EPHX1MMP2MMP1TSHRPAOX
SCHEMBL6284472 0.81 HSD17B10 (0.32) KEAP1NFE2L2
SCHEMBL6287138 0.81 EPHX1 (0.53) EPHX1MMP2MMP1PAOXACHE
SCHEMBL6290208 0.80 EPHX1 (0.38) EPHX1MMP2TSHRPAOXACHE
SCHEMBL6286898 0.79 EPHX1 (0.43) EPHX1MMP2MMP1TSHRPAOX
SCHEMBL6289685 0.79 EPHX1 (0.55) EPHX1MMP2MMP1TSHRACHE

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