SCHEMBL8939971

SCHEMBL8939971

COC(=O)c1ccc(OC)c2c1OC(C)(C)C2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.41
LMNA P02545 2/20 0.39
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 3/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HPGD P15428 2/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CETP P11597 1/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL8068920 0.89 FFAR4 (0.43) FFAR4LMNAKDM4EALDH1A1HSD17B10
SCHEMBL8940054 0.87 FFAR4 (0.44) FFAR4LMNAKDM4EALDH1A1HSD17B10
SCHEMBL8118204 0.84 ALDH1A1 (0.43) LMNAKDM4EALDH1A1HSD17B10CASP1
SCHEMBL22032209 0.83 LMNA (0.36) LMNAKDM4EALDH1A1KMT2ANPC1
SCHEMBL4242110 0.83 NPSR1 (0.39) LMNAALDH1A1HSD17B10HPGDKMT2A
SCHEMBL5723031 0.82 PDE4A (0.42) LMNAKDM4EALDH1A1HSD17B10CASP1
SCHEMBL8131719 0.80 SMN1; SMN2 (0.40) LMNAKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL8124017 0.79 MEN1 (0.38) FFAR4LMNAKDM4EALDH1A1HSD17B10
SCHEMBL7360407 0.78 FFAR4 (0.46) FFAR4LMNAKDM4EALDH1A1HSD17B10
SCHEMBL5722811 0.78 KDM4E (0.54) FFAR4LMNAKDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563148-A BICYCLIC ESTERS OR AMIDES; USED IN TREATING MIGRAINE, EMESIS, GASTROINTESTINAL DISORDERS, SCHIZOPHRENIA OR ANXIETY IN MAMMALS ELI LILLY AND COMPANY (US) 1996-10-08 US disclosed
EP-0307172-B1 Improvements in or relating to specific 5-HT3 antagonists LILLY CO ELI (US) 1995-10-11 EP disclosed
US-5442078-A Intermediates for specific 5-HT3 antagonists ELI LILLY AND COMPANY (US) 1995-08-15 US disclosed
US-5364863-A Treatment of migraine, emesis, schizophrenia, anxiety, gastrointestinal disorders ELI LILLY AND COMPANY (US) 1994-11-15 US disclosed
US-4997956-A Analgesics ELI LILLY AND COMPANY (US) 1991-03-05 US disclosed
US-4921982-A 5-halo-2,3-dihydro-2,2-dimethylbenzofuran-7-carboxylic acids useful as intermediates for 5-HT3 antagonists ELI LILLY AND COMPANY (US) 1990-05-01 US disclosed
EP-0307172-A2 Improvements in or relating to specific 5-HT3 antagonists ELI LILLY AND COMPANY (US) 1989-03-15 EP disclosed