SCHEMBL8564239

SCHEMBL8564239

CC(=O)Oc1ccc(CCCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ELANE P08246 1/20 0.58
GAA P10253 3/20 0.56
ALDH1A1 P00352 2/20 0.54
HSP90AA1 P07900 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 2/20 0.54
PPARG P37231 1/20 0.54
PPARA Q07869 1/20 0.54
FFAR1 O14842 2/20 0.53
PTGS2 P35354 2/20 0.52
GLS O94925 1/20 0.51
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
HDAC8 Q9BY41 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
SCHEMBL8565931 0.96 NPC1 (0.61) NPC1RAB9ASMN1; SMN2ELANEGAA
SCHEMBL8564694 0.95 NPC1 (0.60) NPC1RAB9ASMN1; SMN2ELANEGAA
SCHEMBL717987 0.93 NPC1 (0.65) NPC1RAB9ASMN1; SMN2ELANEGAA
SCHEMBL23894744 0.93 LMNA (0.57) NPC1RAB9ASMN1; SMN2ELANEGAA
SCHEMBL9102645 0.86 HSD17B10 (0.67) NPC1RAB9ASMN1; SMN2ELANEGAA
SCHEMBL12305405 0.86 CALM1 (0.62) SMN1; SMN2LMNAPOLB
SCHEMBL531085 0.85 ELANE (0.61) NPC1RAB9ASMN1; SMN2ELANEGAA
SCHEMBL9081470 0.85 LMNA (0.61) NPC1RAB9ASMN1; SMN2ELANEGAA
SCHEMBL1415501 0.84 THRB (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5537021 0.84 THRB (0.53) NPC1RAB9ASMN1; SMN2ELANEGAA

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-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
EP-0658539-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1995-06-21 EP disclosed