SCHEMBL24991815

SCHEMBL24991815

CCCC(=O)OC(SSC(OC(=O)CCC)c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 2/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
ASAH1 Q13510 1/20 0.39
RECQL P46063 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL24991805 0.86 LMNA (0.42) LMNAKMT2AKDM4ECHRM1CHRM3
SCHEMBL24991809 0.85 ALDH1A1 (0.41) LMNAKMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL24991816 0.85 CYP2C19 (0.41) LMNASMN1; SMN2RAB9ATSHRALDH1A1
SCHEMBL24991810 0.81 SOAT2 (0.51) LMNARECQLKDM4ETSHRHPGD
SCHEMBL24991824 0.81 SOAT2 (0.51) LMNARECQLKDM4ETSHRHPGD
SCHEMBL1203167 0.81 CRHBP (0.50) L3MBTL1LMNACES2CES1RECQL
SCHEMBL821889 0.81 L3MBTL1 (0.44) L3MBTL1LMNACES2CES1RECQL
SCHEMBL5693685 0.79 HCAR2 (0.51) L3MBTL1CES2CES1ASAH1RECQL
SCHEMBL6242067 0.79 HCAR2 (0.51) L3MBTL1CES2CES1ASAH1RECQL
SCHEMBL585143 0.79 HCAR2 (0.51) L3MBTL1CES2CES1ASAH1RECQL

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
WO-2023011599-A1 HYDROGEN PERSULFIDE PRODRUG AND PHARMACEUTICAL USE THEREOF 四川大学 2023-02-09 WO disclosed