SCHEMBL8505763

SCHEMBL8505763

CCOC(=O)C(CC)Oc1ccc2c(ccn2Cc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 4/20 0.47
▸ HDAC8 Q9BY41 3/20 0.47
▸ HDAC3 O15379 3/20 0.47
▸ HDAC1 Q13547 3/20 0.47
▸ HDAC2 Q92769 3/20 0.47
▸ HDAC11 Q96DB2 2/20 0.47
▸ HDAC10 Q969S8 2/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47
▸ HDAC5 Q9UQL6 1/20 0.47
▸ PPARG P37231 10/20 0.46
▸ PPARA Q07869 8/20 0.46
▸ PPARD Q03181 4/20 0.46
▸ THRA P10827 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ NR1H4 Q96RI1 2/20 0.43
▸ APP P05067 1/20 0.42

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) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL9732885 0.78 NPC1 (0.51) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL8503359 0.77 PLA2G2A (0.61) —
SCHEMBL8926105 0.77 PLA2G2A (0.70) —
SCHEMBL2156618 0.76 HTR2C (0.56) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL8502456 0.75 HDAC3 (0.45) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL767041 0.73 TDP1 (0.55) PPARGPPARANPC1
SCHEMBL8505760 0.73 HDAC11 (0.45) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL28917651 0.73 NPC1 (0.46) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL8925313 0.72 PLA2G2A (0.71) —

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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