SCHEMBL8505760

SCHEMBL8505760

CCOC(=O)CCC(O)c1ccc2c(ccn2Cc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC11 Q96DB2 2/20 0.45
▸ HDAC8 Q9BY41 2/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC9 Q9UKV0 1/20 0.45
▸ HDAC5 Q9UQL6 1/20 0.45
▸ APP P05067 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ PPARG P37231 8/20 0.41
▸ TNF P01375 1/20 0.40
▸ PPARD Q03181 3/20 0.40
▸ PPARA Q07869 3/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL2156900 0.78 PLA2G2A (0.56) HDAC11HDAC8HDAC6HDAC3HDAC4
SCHEMBL8926104 0.78 PLA2G2A (0.58) —
SCHEMBL8503354 0.78 PLA2G2A (0.54) —
SCHEMBL8502456 0.77 HDAC3 (0.45) HDAC11HDAC8HDAC6HDAC3HDAC4
SCHEMBL8925308 0.74 PLA2G2A (0.60) —
SCHEMBL2512047 0.74 CYP3A4 (0.49) PPARGPPARA
SCHEMBL8924952 0.73 PLA2G2A (0.59) —
SCHEMBL8505763 0.73 HDAC6 (0.47) HDAC11HDAC8HDAC6HDAC3HDAC4
SCHEMBL23844439 0.73 APP (0.50) HDAC11HDAC8HDAC6HDAC3HDAC4
SCHEMBL8926151 0.73 PLA2G2A (0.59) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5919943-A INHIBITION OF SPLA2 ELI LILLY AND COMPANY (US) 1999-07-06 — — US disclosed
US-5919810-A SEPTIC SHOCK ELI LILLY AND COMPANY (US) 1999-07-06 — — US disclosed
US-5733923-A SECRETORY PANCREATIC PHOSPHOLIPASE A2 ELI LILLY AND COMPANY (US) 1998-03-31 — — US disclosed
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