SCHEMBL6286748

SCHEMBL6286748

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.39
S1PR2 O95136 5/20 0.35
S1PR4 O95977 5/20 0.35
S1PR1 P21453 5/20 0.35
S1PR3 Q99500 5/20 0.35
S1PR5 Q9H228 1/20 0.35
MMP2 P08253 2/20 0.34
MMP1 P03956 1/20 0.34
PAOX Q6QHF9 1/20 0.33
ACHE P22303 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL6287542 0.93 EPHX1 (0.41) EPHX1MMP2MMP1PAOXACHE
SCHEMBL6287138 0.88 EPHX1 (0.53) EPHX1MMP2MMP1PAOXACHE
SCHEMBL6286898 0.87 EPHX1 (0.43) EPHX1S1PR2S1PR4S1PR1S1PR3
SCHEMBL6289695 0.82 HSD17B10 (0.30)
SCHEMBL6287064 0.81 EPHX1 (0.36) EPHX1S1PR2S1PR4S1PR1S1PR3
SCHEMBL6287199 0.81 EPHX1 (0.40) EPHX1MMP2MMP1PAOXACHE
SCHEMBL6290264 0.81 EPHX1 (0.40) EPHX1MMP2MMP1PAOXACHE
SCHEMBL6289560 0.81 EPHX1 (0.57) EPHX1MMP2MMP1PAOXACHE
SCHEMBL6284949 0.80 EPHX1 (0.52) EPHX1MMP2MMP1ACHETSHR
SCHEMBL6289714 0.79 EPHX1 (0.46) EPHX1MMP2MMP1PAOXACHE

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