SCHEMBL11520650

SCHEMBL11520650

C=Cc1ccccc1CSCC(O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.40
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AOC3 Q16853 5/20 0.35
TBXA2R P21731 1/20 0.33
PTGIR P43119 1/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
BCAT2 O15382 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL9067798 0.83 ALDH1A1 (0.35) CYP2C19CYP2D6ALDH1A1CYP1A2CYP2C9
SCHEMBL4631666 0.79 CYP1A2 (0.43) LMNAL3MBTL1CYP2C19CYP2D6RAB9A
SCHEMBL9067878 0.76 ALDH1A1 (0.30) ALDH1A1
SCHEMBL4490473 0.75 LMNA (0.56) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL4200752 0.75 CYP2C19 (0.38) LMNAKDM4ECYP2C19CYP2D6RAB9A
SCHEMBL11424798 0.73 CYP1A2 (0.37) LMNAKDM4EL3MBTL1CYP2C19CYP2D6
SCHEMBL14732602 0.73 ALDH1A1 (0.38) LMNAKDM4ECYP2C19CYP2D6ALDH1A1
SCHEMBL9067868 0.73 CYP1A2 (0.30) CYP1A2CYP2C9
SCHEMBL6423185 0.71 LMNA (0.56) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL9153272 0.71 CYP1A2 (0.32) CYP2C19CYP2D6ALDH1A1CYP1A2CYP2C9

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
US-4161407-A Crosslinkable polymers having vinylsulfonyl groups or styrylsulfonyl groups and their use as hardeners for gelatin EASTMAN KODAK COMPANY (US) 1979-07-17 US disclosed