SCHEMBL22153136

SCHEMBL22153136

O=C(O)CCC(=O)N(CCN1C(=O)C=C(Sc2ccccc2)C1=O)CCN1C(=O)C=C(Sc2ccccc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
HPGD P15428 1/20 0.32
PKM P14618 1/20 0.32
CISD1 Q9NZ45 2/20 0.32
MAOA P21397 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
APEX1 P27695 1/20 0.30
RGS4 P49798 1/20 0.30

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
SCHEMBL29333066 0.94 CISD1 (0.33) ALDH1A1POLBTDP1CISD1MAOA
SCHEMBL29333591 0.87 OPRM1 (0.32) ALDH1A1OPRM1OPRD1CISD1MAOA
SCHEMBL29334530 0.80 ALDH1A1 (0.30) ALDH1A1
SCHEMBL22152334 0.76 RGS4 (0.41) ALDH1A1POLBTDP1PKMRGS4
SCHEMBL22154202 0.74 MEN1 (0.31) MEN1KMT2A
SCHEMBL15415401 0.72 PTGS1 (0.54) ALDH1A1POLBTDP1HPGDPKM
SCHEMBL22153693 0.70 RGS4 (0.39) ALDH1A1MAOAMAPTMEN1KMT2A
SCHEMBL29333065 0.70 RGS4 (0.36) ALDH1A1PKMRGS4
SCHEMBL22153137 0.68 RGS4 (0.31) ALOX15RGS4
SCHEMBL22153166 0.68 HPGD (0.37) ALDH1A1POLBHPGDMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3868409-B1 THIOPHENOL-MALEIMIDE AND BROM-MALEIMIDE DERIVATIVES AS LINKER FOR ANTIBODY-DRUG CONJUGATES (ADC) FOR TREATING TUMORS REMEGEN CO LTD (CN) 2024-07-17 EP disclosed
WO-2020125546-A1 CONNECTOR FOR USE IN ANTIBODY MEDICAMENT CONJUGATE AND APPLICATIONS OF CONNECTOR 荣昌生物制药(烟台)有限公司 2020-06-25 WO disclosed