SCHEMBL28952912

SCHEMBL28952912

O=C(O)C(S)(S)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
HIF1A Q16665 1/20 0.57
FDPS P14324 1/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 2/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
CES1 P23141 2/20 0.44
CES2 O00748 1/20 0.44
AKR1B1 P15121 1/20 0.44
KEAP1 Q14145 1/20 0.41
SLC6A2 P23975 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ARG1 P05089 1/20 0.41
ARG2 P78540 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
MMP8 P22894 1/20 0.40
CPA3 P15088 1/20 0.39

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
SCHEMBL10419786 0.82 SMN1; SMN2 (0.57) SMN1; SMN2HIF1AFDPSCYP2C9CYP2C19
SCHEMBL10429787 0.80 SMN1; SMN2 (0.55) SMN1; SMN2HIF1AFDPSCYP2C9CYP2C19
SCHEMBL27091215 0.78 SMN1; SMN2 (0.64) SMN1; SMN2HIF1AFDPSCYP2C9CYP2C19
SCHEMBL3342965 0.78 SMN1; SMN2 (0.53) SMN1; SMN2HIF1AFDPSCYP2C9CYP2C19
SCHEMBL338742 0.76 SMN1; SMN2 (0.61) SMN1; SMN2HIF1AFDPSCYP2C9CYP2C19
SCHEMBL3705342 0.75 HIF1A (0.50) SMN1; SMN2HIF1AFDPSCYP2C9CYP2C19
SCHEMBL2051377 0.74 SMN1; SMN2 (0.59) SMN1; SMN2HIF1AFDPSCYP2C9CYP2C19
SCHEMBL21268824 0.74 SMN1; SMN2 (0.59) SMN1; SMN2HIF1AFDPSCYP2C9CYP2C19
SCHEMBL21269769 0.74 SMN1; SMN2 (0.59) SMN1; SMN2HIF1AFDPSCYP2C9CYP2C19
SCHEMBL21269594 0.74 SMN1; SMN2 (0.59) SMN1; SMN2HIF1AFDPSCYP2C9CYP2C19

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-114901716-A Chloroprene block copolymer, latex composition, and rubber composition 电化株式会社 2022-08-12 CN disclosed