SCHEMBL6681925

SCHEMBL6681925

CC1Cc2c(C=O)cccc2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BRD4 O60885 2/20 0.41
CREBBP Q92793 2/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.41
MAOA P21397 5/20 0.39
MAOB P27338 5/20 0.36
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNJ1 P48048 1/20 0.35
POLL Q9UGP5 1/20 0.35
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL8484974 0.86 KDM4E (0.50) ALDH1A1GAASMN1; SMN2BRD4CREBBP
SCHEMBL8484973 0.86 KDM4E (0.50) ALDH1A1GAASMN1; SMN2BRD4CREBBP
SCHEMBL13808984 0.81 PTPRF (0.39) ALDH1A1KDM4EMAOAMAOBTDP1
SCHEMBL6683193 0.79 KDM4E (0.51) ALDH1A1GAABRD4CREBBPKDM4E
SCHEMBL6683186 0.79 KDM4E (0.51) ALDH1A1GAABRD4CREBBPKDM4E
SCHEMBL13808804 0.77 MEN1 (0.33) TDP1MEN1LMNATHRBBLM
SCHEMBL5543882 0.77 BRD4 (0.45) ALDH1A1SMN1; SMN2BRD4CREBBPKDM4E
SCHEMBL8854697 0.75 MEN1 (0.34) KDM4ETDP1MEN1LMNATHRB
SCHEMBL27507537 0.74 ERN1 (0.33) KDM4EMAOBTDP1MEN1LMNA
SCHEMBL7947753 0.74 KDM4E (0.47) ALDH1A1BRD4CREBBPKDM4EHPGD

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
EP-1027043-B1 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-11-10 EP disclosed
EP-1027043-A4 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2002-02-20 EP disclosed
EP-1027043-A1 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS Bristol-Myers Squibb Company (US) 2000-08-16 EP disclosed
US-6060506-A FOR TREATMENT OF SLEEP DISORDERS, CIRCADIAN RHYTHM DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-09 US disclosed
US-5981571-A USEFUL AS MELATONERGIC AGENTS IN THE TREATMENT OF SLEEP DISORDERS, SEASONAL DEPRESSION, SHIFTS IN CIRCADIAN CYCLES, MELANCHOLIA, STRESS, APPETITE REGULATION, BENIGN PROSTATIC HYPERPLASIA AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-11-09 US disclosed
US-5856529-A ADJUSTMENT OF NERVOUS SYSTEM, ENDOCRINE FUNCTION; REPRODUCTION, BODY WEIGHT AND METABOLISM BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-05 US disclosed
WO-1998025606-A1 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-06-18 WO disclosed