SCHEMBL21548083

SCHEMBL21548083

CC(=O)CCSSCCC=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
SLC15A2 Q16348 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HDAC2 Q92769 3/20 0.34
KDM4E B2RXH2 2/20 0.33
ATM Q13315 1/20 0.33
KDM6B O15054 1/20 0.33
KDM5C P41229 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 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
SCHEMBL11529618 0.83 ALDH1A1 (0.56) LMNASLC15A2TDP1TSHRALDH1A1
SCHEMBL18083835 0.81 TSHR (0.65) LMNASLC15A2TDP1TSHRHDAC2
SCHEMBL21553552 0.78 TDP1 (0.44) LMNATDP1TSHRHDAC2HDAC3
SCHEMBL18937913 0.77 TSHR (0.40) LMNATDP1TSHRHDAC2
SCHEMBL6536912 0.77 TDP1 (0.56) TDP1TSHRALDH1A1HDAC2
SCHEMBL16303292 0.75 TSHR (0.72) LMNASLC15A2TDP1TSHRALDH1A1
SCHEMBL301539 0.75
SCHEMBL13385714 0.73
SCHEMBL26737546 0.72 HDAC2 (0.54) LMNATDP1TSHRHDAC2HDAC3
SCHEMBL9858502 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3494157-B1 STABILIZERS FOR BROMINATED POLYMERIC FLAME RETARDANTS BROMINE COMPOUNDS LTD (IL) 2021-03-03 EP disclosed
WO-2020065408-A1 SULFOMALEIMIDE-BASED LINKERS AND CORRESPONDING CONJUGATES PIERRE FABRE MEDICAMENT (FR) 2020-04-02 WO disclosed
EP-3395358-B1 INSULIN ANALOG DIMERS UNIV INDIANA RES & TECH CORP (US) 2019-11-06 EP disclosed