SCHEMBL10657848

SCHEMBL10657848

O=Cc1cc(OCCCCS(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 3/20 0.47
▸ PDE3A Q14432 3/20 0.47
▸ P2RY12 Q9H244 3/20 0.47
▸ MAPT P10636 4/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TXNRD1 Q16881 2/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ BACE1 P56817 1/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL10659724 0.97 PDE3B (0.46) PDE3BPDE3AP2RY12MAPTALDH1A1
SCHEMBL10656364 0.82 PTPN1 (0.45) PDE3BPDE3AP2RY12MAPTALDH1A1
SCHEMBL10656359 0.82 PTPN1 (0.45) PDE3BPDE3AP2RY12MAPTALDH1A1
SCHEMBL10849738 0.79 MAPT (0.47) MAPTALDH1A1BACE1
SCHEMBL10657595 0.79 PTPN1 (0.46) PDE3BPDE3AP2RY12MAPTALDH1A1
SCHEMBL10657585 0.79 PTPN1 (0.46) PDE3BPDE3AP2RY12MAPTALDH1A1
SCHEMBL10842188 0.78 MAPT (0.46) MAPTALDH1A1BACE1
SCHEMBL10844431 0.78 MAPT (0.46) MAPTALDH1A1BACE1
SCHEMBL10843086 0.78 MAPT (0.46) MAPTALDH1A1BACE1
SCHEMBL10842144 0.78 MAPT (0.46) MAPTALDH1A1BACE1

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
US-4775674-A CARDIOTONIC AGENTS BRISTOL-MYERS COMPANY (US) 1988-10-04 — — US disclosed
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