SCHEMBL6290338

SCHEMBL6290338

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

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
EPHX2 P34913 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL6289634 0.92 MCL1 (0.34) MCL1ALDH1A1SMN1; SMN2MMP1MMP2
SCHEMBL6289695 0.86 HSD17B10 (0.30)
SCHEMBL6280382 0.84 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MMP1MMP2MMP3
SCHEMBL6286898 0.84 EPHX1 (0.43) SMN1; SMN2MMP1MMP2EPHX2
SCHEMBL6284949 0.84 EPHX1 (0.52) MMP1MMP2EPHX2
SCHEMBL6284467 0.82 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2MMP1MMP2MMP3
SCHEMBL6286463 0.80 MCL1 (0.32) MCL1
SCHEMBL6284472 0.78 HSD17B10 (0.32)
SCHEMBL6284424 0.78 MCL1 (0.33) MCL1ALDH1A1SMN1; SMN2MMP1MMP2
SCHEMBL6290154 0.78 SMN1; SMN2 (0.37) 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