SCHEMBL28519015

SCHEMBL28519015

O=Cc1ccsc1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.42
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.36
CYP2A6 P11509 1/20 0.35
KDM4E B2RXH2 3/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
AKR1B1 P15121 1/20 0.34
ALOX5 P09917 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
LTB4R Q15722 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL31564493 0.83 KDM4E (0.38) ALDH1A1KMT2AMEN1PTGDR2KDM4E
SCHEMBL6748897 0.78
SCHEMBL10440459 0.76 MAOA (0.35) ALDH1A1KMT2AMEN1PTGDR2CYP2A6
SCHEMBL18995061 0.74 CYP2A6 (0.36) KMT2AMEN1CYP2A6
SCHEMBL10424599 0.74 AKR1B1 (0.43) ALDH1A1KMT2AMEN1PTGDR2KDM4E
SCHEMBL6964424 0.74
SCHEMBL19222446 0.74 CYP2A6 (0.38) KMT2AMEN1CYP2A6
SCHEMBL4416528 0.74 AKR1B1 (0.43) ALDH1A1KMT2AMEN1PTGDR2KDM4E
SCHEMBL11664361 0.73 KDM5A (0.37) ALDH1A1KMT2AMEN1PTGDR2KDM4E
SCHEMBL3632023 0.72 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1PTGDR2KDM4E

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
CN-112312927-A Conjugates for targeting and clearing aggregates 麦迪穆有限责任公司 2021-02-02 CN claimed
CN-112312927-A Conjugates for targeting and clearing aggregates 麦迪穆有限责任公司 2021-02-02 CN disclosed