SCHEMBL6287271

SCHEMBL6287271

CCCCNC(=O)NCC(CC)C(CCC)NCCCC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.47
EPHX2 P34913 4/20 0.40
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
ALB P02768 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FBP1 P09467 1/20 0.35
ACHE P22303 1/20 0.34

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
SCHEMBL6283208 0.93 EPHX1 (0.46) EPHX1EPHX2MMP1MMP2SMN1; SMN2
SCHEMBL6283796 0.93 EPHX1 (0.40) EPHX1EPHX2MMP1MMP2ACHE
SCHEMBL6283526 0.90 EPHX1 (0.36) EPHX1EPHX2MMP1MMP2ACHE
SCHEMBL6287234 0.88 EPHX1 (0.47) EPHX1EPHX2MMP1MMP2SMN1; SMN2
SCHEMBL6289718 0.85 CA1 (0.35) EPHX1MMP2ACHE
SCHEMBL6283999 0.81 EPHX1 (0.50) EPHX1EPHX2MMP1MMP2SMN1; SMN2
SCHEMBL6287256 0.81 EPHX1 (0.46) EPHX1EPHX2MMP1MMP2SMN1; SMN2
SCHEMBL6284244 0.80 EPHX2 (0.33) EPHX1EPHX2ALDH1A1TDP1
SCHEMBL6284624 0.77 EPHX1 (0.49) EPHX1EPHX2MMP1MMP2SMN1; SMN2
SCHEMBL6287715 0.77 EPHX1 (0.45) EPHX1EPHX2SMN1; SMN2

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