SCHEMBL10737546

SCHEMBL10737546

CCOC(=O)C(CCc1ccccc1)CNCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.51
▸ HDAC3 O15379 1/20 0.51
▸ HDAC4 P56524 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC7 Q8WUI4 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ HDAC10 Q969S8 1/20 0.51
▸ HDAC11 Q96DB2 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ HDAC9 Q9UKV0 1/20 0.51
▸ HDAC5 Q9UQL6 1/20 0.51
▸ NCOR2 Q9Y618 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.50
▸ TGM2 P21980 1/20 0.49
▸ FOLH1 Q04609 3/20 0.48
▸ KEAP1 Q14145 1/20 0.47
▸ NFE2L2 Q16236 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MMP3 P08254 1/20 0.47

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
SCHEMBL7438911 0.84 SMN1; SMN2 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7431045 0.83 SMN1; SMN2 (0.47) HSD17B10SMN1; SMN2LMNA
SCHEMBL10743623 0.81 SMN1; SMN2 (0.52) HTTHDAC3HDAC4HDAC1HDAC7
SCHEMBL6827646 0.80 HTT (0.59) HTTTGM2FOLH1KEAP1NFE2L2
SCHEMBL7423509 0.80 SMN1; SMN2 (0.56) HTTSMN1; SMN2LMNA
SCHEMBL9738061 0.80 FOLH1 (0.60) TGM2FOLH1MMP3SIRT2SIRT1
SCHEMBL9738069 0.80 FOLH1 (0.60) TGM2FOLH1MMP3SIRT2SIRT1
SCHEMBL6823763 0.79 FOLH1 (0.58) HTTTGM2FOLH1KEAP1NFE2L2
SCHEMBL11758185 0.79 HTT (0.58) HTTTGM2FOLH1KEAP1NFE2L2
Hydrochloric Acid SCHEMBL10739661 0.79 SMN1; SMN2 (0.54) HTTSMN1; SMN2LMNA

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-4665087-A ANGIOTENSIN-CONVERTING ENZYME INHIBITORS CIBA-GEIGY CORPORATION (US) 1987-05-12 — — US disclosed
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