SCHEMBL28419255

SCHEMBL28419255

C=CC(CCCOC(N)=S)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
EPHX1 P07099 2/20 0.33
SRR Q9GZT4 2/20 0.33
ALPI P09923 1/20 0.32
PKM P14618 1/20 0.32
PTGS1 P23219 1/20 0.32
XIAP P98170 1/20 0.32
SLC7A5 Q01650 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
MMP13 P45452 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL6540268 0.81 EPHX1 (0.37) EPHX1MMP13HDAC3HDAC4HDAC1
SCHEMBL6541586 0.75 EPHX1 (0.35) EPHX1MMP13HDAC3HDAC4HDAC1
SCHEMBL6541327 0.75 EPHX1 (0.35) EPHX1MMP13HDAC3HDAC4HDAC1
SCHEMBL28419582 0.74 CCR3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9804098 0.74 EPHX1 (0.39) EPHX1SRRMMP13SLC6A2TAAR1
SCHEMBL14690339 0.72 CSNK1E (0.44) CSNK1ESLC6A2TAAR1MAOASLC6A4
SCHEMBL19153950 0.72 TRPA1 (0.41) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL20717977 0.72 LMNA (0.68) LMNAMAOA
SCHEMBL28537350 0.71 TRPA1 (0.35) MMP13HDAC3HDAC4HDAC1HDAC7
SCHEMBL28412522 0.70 EPHX1 (0.40) EPHX1MMP13SLC6A2TAAR1MAOA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111378177-A Energy absorption method based on force-induced responsive polymer with hetero-network structure 翁秋梅 2020-07-07 CN disclosed