SCHEMBL4976642

SCHEMBL4976642

CCCC/C(C(N)=O)=C(\CC)NCCC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.40
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CASP2 P42575 1/20 0.35
CNR1 P21554 1/20 0.35
ALOX15 P16050 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
NAAA Q02083 1/20 0.33
FAAH O00519 3/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CTSD P07339 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL18203198 0.76 CES1 (0.52) CES2CES1ALOX15ALDH1A1TP53
SCHEMBL7565402 0.76 CES1 (0.52) CES2CES1ALOX15ALDH1A1TP53
SCHEMBL7565394 0.76 CES1 (0.52) CES2CES1ALOX15ALDH1A1TP53
SCHEMBL9466172 0.74 EPHX1 (0.42) EPHX1CES2CES1CASP2CNR1
SCHEMBL9113646 0.73 MMP1 (0.38) EPHX1ALDH1A1MMP1MMP2MMP3
SCHEMBL1133538 0.70 EPHX1 (0.44) EPHX1ALOX15MMP1MMP2MEN1
SCHEMBL29977584 0.70 CES1 (0.46) CES2CES1ALOX15ALDH1A1TP53
SCHEMBL10475333 0.70 CES1 (0.46) CES2CES1ALDH1A1TP53FAAH
SCHEMBL3357105 0.70 CES1 (0.46) CES2CES1ALDH1A1TP53FAAH
SCHEMBL28142515 0.70 CES1 (0.46) CES2CES1ALOX15ALDH1A1TP53

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-7339005-B2 Process for producing modified diene polymer rubber SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-04 US disclosed
US-20040152845-A1 Process for producing modified diene polymer rubber SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-05 US disclosed