SCHEMBL10929167

SCHEMBL10929167

CCOP(=O)(CCCCc1ccccc1)C(CCCNC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.46
▸ TGM2 P21980 2/20 0.45
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNB4 P30926 1/20 0.44
▸ CHRNA3 P32297 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ MMP3 P08254 1/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ FOLH1 Q04609 3/20 0.44

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
SCHEMBL10928708 0.83 ACE (0.49) LMNA
SCHEMBL10932475 0.81 CETP (0.35) FOLH1LMNASMN1; SMN2
SCHEMBL9417120 0.78 HTT (0.47) HTTTGM2SLC1A3SLC1A1LMNA
SCHEMBL13853971 0.78 HTT (0.58) HTTTGM2HDAC3HDAC4HDAC1
SCHEMBL13725441 0.76 HTT (0.59) HTTTGM2HDAC3HDAC4HDAC1
SCHEMBL10928732 0.76 PPARG (0.36) SMN1; SMN2MMP2MAPT
SCHEMBL7377154 0.75 PPARG (0.43) MMP3MMP9
SCHEMBL7377157 0.75 PPARG (0.43) MMP3MMP9
SCHEMBL9123690 0.75 FOLH1 (0.51) HTTTGM2MMP3FOLH1MMP2
SCHEMBL9123699 0.75 FOLH1 (0.51) HTTTGM2MMP3FOLH1MMP2

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
US-4560680-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1985-12-24 — — US disclosed
US-4452791-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1984-06-05 — — US disclosed
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