SCHEMBL28967136

SCHEMBL28967136

C=CCSCCCS(=O)(=O)[O-].[Na+]

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 known ✓ P09917 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.40
GMNN O75496 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
THPO P40225 1/20 0.40
HBB P68871 1/20 0.40
PMP22 Q01453 1/20 0.40
BBOX1 O75936 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
ENPEP Q07075 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
SCHEMBL28899359 0.80 GMNN (0.52) SMN1; SMN2GMNNALDH1A1LMNATP53
SCHEMBL27175717 0.78 GMNN (0.50) SMN1; SMN2GMNNALDH1A1LMNATP53
SCHEMBL3890653 0.78 GMNN (0.50) SMN1; SMN2GMNNALDH1A1LMNATP53
SCHEMBL4662525 0.77 BBOX1 (0.47) SMN1; SMN2GMNNALDH1A1LMNATP53
SCHEMBL10818830 0.72 ALOX5 (0.48) SMN1; SMN2ALDH1A1TP53ALOX5ALOX15
SCHEMBL7651527 0.72 TSHR (0.48) SMN1; SMN2GMNNALDH1A1LMNATP53
SCHEMBL29283222 0.71 KDM4E (0.52) SMN1; SMN2GMNNALDH1A1LMNATP53
SCHEMBL4662172 0.71 TDP1 (0.43) SMN1; SMN2GMNNALDH1A1LMNATP53
SCHEMBL29283218 0.71 KDM4E (0.52) SMN1; SMN2GMNNALDH1A1LMNATP53
SCHEMBL421602 0.71 GMNN (0.52) SMN1; SMN2GMNNALDH1A1LMNATP53

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-115787000-A High-tensile-strength additive and preparation method thereof 江苏梦得新材料科技有限公司 2023-03-14 CN claimed