SCHEMBL8559822

SCHEMBL8559822

O=C(CCCCCCCc1ccccc1)c1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.85
NPC1 O15118 1/20 0.85
CASP3 P42574 1/20 0.85
RAB9A P51151 1/20 0.85
SENP8 Q96LD8 1/20 0.85
SENP7 Q9BQF6 1/20 0.85
SENP6 Q9GZR1 1/20 0.85
DPP4 P27487 1/20 0.77
L3MBTL1 Q9Y468 2/20 0.77
MAPT P10636 2/20 0.77
LMNA P02545 1/20 0.77
HDAC1 Q13547 6/20 0.69
HDAC8 Q9BY41 5/20 0.69
HDAC2 Q92769 2/20 0.69
RXFP1 Q9HBX9 1/20 0.69
HDAC3 O15379 1/20 0.69
HDAC4 P56524 1/20 0.69
HDAC7 Q8WUI4 1/20 0.69
HDAC10 Q969S8 1/20 0.69
HDAC11 Q96DB2 1/20 0.69

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
SCHEMBL9242650 1.00 TDP1 (0.85) TDP1NPC1CASP3RAB9ASENP8
SCHEMBL7426101 1.00 TDP1 (0.85) TDP1NPC1CASP3RAB9ASENP8
SCHEMBL3070677 0.98 TDP1 (0.89) TDP1NPC1CASP3RAB9ASENP8
SCHEMBL839278 0.92 TDP1 (1.00) TDP1NPC1CASP3RAB9ASENP8
SCHEMBL27463271 0.91 DPP4 (0.81) TDP1NPC1CASP3RAB9ASENP8
SCHEMBL8894978 0.88 MAPT (0.74) TDP1NPC1CASP3RAB9ASENP8
SCHEMBL8519287 0.88 TDP1 (1.00) TDP1NPC1CASP3RAB9ASENP8
SCHEMBL27516050 0.88 TDP1 (1.00) TDP1NPC1CASP3RAB9ASENP8
SCHEMBL9057671 0.88 TDP1 (1.00) TDP1NPC1CASP3RAB9ASENP8
SCHEMBL27545788 0.86 TDP1 (0.69) TDP1NPC1CASP3RAB9ASENP8

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
US-5843997-A Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1998-12-01 US disclosed
US-5576323-A CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-11-19 US disclosed
CN-1108240-A Excitatory amino acid receptor antagonists LILLY CO ELI (US) 1995-09-13 CN disclosed
EP-0658539-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1995-06-21 EP disclosed