SCHEMBL28512116

SCHEMBL28512116

O=C(O)OC(=O)c1ccc(C(=O)OC(=O)O)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.43
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
F2 P00734 1/20 0.38
HPGD P15428 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
CASP3 P42574 1/20 0.35

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
SCHEMBL6294073 0.83 DAO (0.58) DAONPSR1LMNAPPARGNCOA2
SCHEMBL70027 0.72 NPSR1 (0.67) DAONPSR1LMNAPPARGNCOA2
SCHEMBL1303016 0.71 NPSR1 (0.60) DAONPSR1LMNAPPARGNCOA2
SCHEMBL27863223 0.70 LMNA (0.48) LMNAF2TSHRMAPK1L3MBTL1
SCHEMBL69758 0.70 HPGD (0.52) LMNAHDAC6HPGDATML3MBTL1
SCHEMBL70493 0.69 DAO (0.67) DAOHPGDALDH1A1POLBPKM
SCHEMBL28643715 0.69 NPSR1 (0.56) NPSR1LMNAPPARGNCOA2NCOA1
Hydrazine SCHEMBL27261279 0.69 NPSR1 (0.56) DAONPSR1LMNAPPARGNCOA2
SCHEMBL23074375 0.67 F2 (0.55) DAOLMNAF2HPGDTSHR
SCHEMBL18023552 0.67 NPSR1 (0.55) DAONPSR1LMNAPPARGNCOA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109433159-B Cobalt coordination polymer iodine vapor load material and preparation method and application thereof 陕西科技大学 2021-05-18 CN claimed
CN-109400896-B Zinc coordination polymer iodine vapor load material and preparation method and application thereof 陕西科技大学 2021-03-23 CN claimed
CN-109593205-B Cobalt coordination polymer magnetic material and preparation method and application thereof 陕西科技大学 2021-02-05 CN claimed
CN-109433159-B Cobalt coordination polymer iodine vapor load material and preparation method and application thereof 陕西科技大学 2021-05-18 CN disclosed
CN-109400896-B Zinc coordination polymer iodine vapor load material and preparation method and application thereof 陕西科技大学 2021-03-23 CN disclosed
CN-109593205-B Cobalt coordination polymer magnetic material and preparation method and application thereof 陕西科技大学 2021-02-05 CN disclosed