SCHEMBL7363415

SCHEMBL7363415

COC(=O)C(CCCC[C]=O)NC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.59
SIRT1 Q96EB6 3/20 0.59
SIRT3 Q9NTG7 1/20 0.59
CTSL P07711 4/20 0.56
CTSS P25774 4/20 0.56
KYNU Q16719 1/20 0.55
ALDH1A1 P00352 1/20 0.53
ALOX15 P16050 1/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CTSK P43235 4/20 0.51
CTSB P07858 2/20 0.51
SIRT5 Q9NXA8 1/20 0.50
TACR1 P25103 1/20 0.49

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
SCHEMBL8386880 0.91 SIRT2 (0.67) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL1111001 0.87 SIRT2 (0.60) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL1111018 0.87 SIRT2 (0.60) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL1111004 0.87 SIRT2 (0.60) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL11685409 0.86 CTSL (0.56) SIRT2SIRT1CTSLCTSSCTSK
SCHEMBL26222759 0.86 SIRT2 (0.74) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL1199556 0.86 SIRT2 (0.74) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL1840309 0.85 SIRT2 (0.61) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL1840311 0.85 SIRT2 (0.61) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL7362144 0.85 SIRT2 (0.67) SIRT2SIRT1SIRT3CTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415981-A4 RETROVIRAL PROTEASE INHIBITORS 1991-10-09 EP disclosed
EP-0415981-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
EP-0342541-A2 Retroviral protease inhibitors ABBOTT LABORATORIES (US) 1989-11-23 EP disclosed
WO-1989010752-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed