SCHEMBL7642201

SCHEMBL7642201

CC(=O)Oc1ccc2cc(-c3ccccc3)sc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.56
ESR1 P03372 3/20 0.55
ESR2 Q92731 3/20 0.55
NPC1 O15118 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
GLA P06280 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 3/20 0.47
GAA P10253 1/20 0.47
BACE1 P56817 2/20 0.47
POLB P06746 1/20 0.45
ELANE P08246 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX5 P09917 1/20 0.43

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
SCHEMBL2561003 0.91 CA2 (0.58) CA2ESR1ESR2KDM4EGLA
SCHEMBL7645110 0.87 CA2 (0.54) CA2ESR1ESR2NPC1KDM4E
SCHEMBL7641278 0.87 ESR1 (0.60) CA2ESR1ESR2CYP3A4
SCHEMBL7636676 0.84 CA2 (0.51) CA2ESR1ESR2NPC1GLA
SCHEMBL7639250 0.84 APP (0.58) CA2NPC1RAB9AMAPTTDP1
SCHEMBL7641017 0.84 ESR1 (0.55) ESR1ESR2NPC1MEN1RAB9A
SCHEMBL21470083 0.83 CA2 (0.53) CA2ESR1ESR2KDM4EGLA
SCHEMBL7636132 0.82 KMT2A (0.53) CA2ESR1ESR2NPC1MEN1
SCHEMBL7642766 0.82 ESR1 (0.65) CA2ESR1ESR2LMNAGAA
SCHEMBL7636656 0.81 KMT2A (0.57) CA2ESR1ESR2NPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6395769-B1 ACTIVATION ESTROGEN; THERAPY FOR OSTEOPOROSIS, ANTILIPEMIC AGENTS ELI LILLY AND COMPANY 2002-05-28 US claimed
US-6096781-A 2-PHENYL-1-BENZOTHIOPHENE DERIVATIVES ARE USEFUL FOR TREATMENT OF OSTEOPOROSIS AND HYPERLIPEMIA ELI LILLY AND COMPANY (US) 2000-08-01 US claimed
EP-0920862-A1 2-Arylbenzo b thiophenes useful for the treatment of estrogen deprivation syndrome ELI LILLY AND COMPANY (US) 1999-06-09 EP claimed
US-6395769-B1 ACTIVATION ESTROGEN; THERAPY FOR OSTEOPOROSIS, ANTILIPEMIC AGENTS ELI LILLY AND COMPANY 2002-05-28 US disclosed
US-6096781-A 2-PHENYL-1-BENZOTHIOPHENE DERIVATIVES ARE USEFUL FOR TREATMENT OF OSTEOPOROSIS AND HYPERLIPEMIA ELI LILLY AND COMPANY (US) 2000-08-01 US disclosed
EP-0920862-A1 2-Arylbenzo b thiophenes useful for the treatment of estrogen deprivation syndrome ELI LILLY AND COMPANY (US) 1999-06-09 EP disclosed