SCHEMBL6284424

SCHEMBL6284424

CCNCC(C)(CNCC)CNC(=O)NCC

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
EPHX2 P34913 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
EPHX1 P07099 2/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6285506 0.86 HSD17B10 (0.31)
SCHEMBL6287085 0.83 EPHX1 (0.53) MMP1MMP2EPHX2EPHX1
SCHEMBL6287185 0.83 EPHX1 (0.44) SMN1; SMN2MMP1MMP2EPHX2EPHX1
SCHEMBL6290154 0.83 SMN1; SMN2 (0.37) MCL1ALDH1A1SMN1; SMN2MMP1MMP2
SCHEMBL6284237 0.83 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2MMP1MMP2MMP3
SCHEMBL6289634 0.81 MCL1 (0.34) MCL1ALDH1A1SMN1; SMN2MMP1MMP2
SCHEMBL6286877 0.81 ALDH1A1 (0.33) MCL1ALDH1A1SMN1; SMN2MMP1MMP2
SCHEMBL6287599 0.79 MCL1 (0.33) MCL1
SCHEMBL9870399 0.78 ALDH1A1 (0.36) MCL1ALDH1A1SMN1; SMN2MMP1MMP2
SCHEMBL6290338 0.78 MCL1 (0.32) MCL1ALDH1A1SMN1; SMN2MMP1MMP2

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