SCHEMBL6678740

SCHEMBL6678740

O=Cc1cccc2c1CCOO2

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ERN1 O75460 3/20 0.35
KCNJ1 P48048 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31
CYP2A6 P11509 1/20 0.30

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
SCHEMBL6187776 0.83 KDM4E (0.41) MEN1LMNATHRBBLMKMT2A
SCHEMBL29386706 0.83 KDM4E (0.41) MEN1LMNATHRBBLMKMT2A
SCHEMBL25274324 0.81 MEN1 (0.39) MEN1LMNATHRBBLMKMT2A
SCHEMBL5845014 0.76 KDM4E (0.39) MEN1LMNATHRBBLMKMT2A
SCHEMBL6681140 0.75 KDM4E (0.38) MEN1LMNATHRBBLMKMT2A
SCHEMBL3131795 0.72 BCL2L1 (0.39) LMNATDP1ALDH1A1
SCHEMBL7815996 0.72 MAP3K14 (0.37) ALDH1A1ITGB2ICAM1ITGALCYP2A6
SCHEMBL6681031 0.72 KDM4E (0.37) MEN1LMNAKMT2ATDP1KDM4E
SCHEMBL27371497 0.71 PARP1 (0.41) MEN1LMNATHRBBLMKMT2A
SCHEMBL8486988 0.70 KDM4E (0.62) KDM4EERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108341814-A Jak kinase inhibitor and its application 上海翔锦生物科技有限公司 2018-07-31 CN disclosed
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