SCHEMBL6290263

SCHEMBL6290263

CCCCNC(=O)NCC(C)S

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.62
SMN1; SMN2 Q16637 1/20 0.45
MMP2 P08253 2/20 0.42
MMP1 P03956 1/20 0.42
ACHE P22303 1/20 0.41
EPHX2 P34913 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ALB P02768 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL14577355 0.84 EPHX1 (0.85) EPHX1SMN1; SMN2MMP2MMP1ACHE
SCHEMBL6289598 0.82 EPHX1 (0.65) EPHX1SMN1; SMN2MMP2MMP1ACHE
SCHEMBL320112 0.81 EPHX1 (0.85) EPHX1MMP2MMP1ACHE
SCHEMBL6284945 0.79 EPHX1 (0.41) EPHX1SMN1; SMN2MMP2MMP1EPHX2
SCHEMBL6287231 0.79 EPHX1 (0.61) EPHX1SMN1; SMN2MMP2MMP1ACHE
SCHEMBL6287479 0.79 EPHX1 (0.61) EPHX1SMN1; SMN2MMP2MMP1ACHE
SCHEMBL30786047 0.79 EPHX1 (0.90) EPHX1MMP2MMP1ACHEEPHX2
SCHEMBL11229575 0.78 EPHX1 (0.59) EPHX1SMN1; SMN2MMP2MMP1ACHE
SCHEMBL6286938 0.78 EPHX1 (0.59) EPHX1SMN1; SMN2MMP2MMP1ACHE
SCHEMBL6753665 0.77 EPHX1 (1.00) EPHX1SMN1; SMN2EPHX2

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