SCHEMBL4585647

SCHEMBL4585647

CCCCC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@H](O)C[C@@H]12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
USP2 O75604 2/20 0.62
MAPK1 P28482 1/20 0.62
ESR1 P03372 6/20 0.61
LMNA P02545 6/20 0.61
PGR P06401 3/20 0.61
AR P10275 3/20 0.61
ESR2 Q92731 2/20 0.61
SLC6A3 Q01959 2/20 0.61
PTGS1 P23219 2/20 0.61
NR3C1 P04150 2/20 0.61
SHBG P04278 2/20 0.61
SLC6A4 P31645 2/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
HIF1A Q16665 1/20 0.61
SERPINA6 P08185 1/20 0.61
SNCA P37840 1/20 0.61
OR51E2 Q9H255 1/20 0.61
UGT1A10 Q9HAW8 1/20 0.61

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
SCHEMBL10361012 0.91 LMNA (0.60) MAPTUSP2MAPK1ESR1LMNA
SCHEMBL5527386 0.91 MAPT (0.72) MAPTUSP2MAPK1ESR1LMNA
SCHEMBL10349240 0.90 MAPT (0.61) MAPTUSP2MAPK1ESR1LMNA
SCHEMBL10349791 0.90 MAPT (0.61) MAPTUSP2MAPK1ESR1LMNA
SCHEMBL345505 0.90 MAPT (0.66) MAPTUSP2MAPK1ESR1LMNA
SCHEMBL40564 0.89 LMNA (0.75) MAPTUSP2ESR1LMNAPGR
SCHEMBL11102416 0.89 LMNA (0.75) MAPTUSP2ESR1LMNAPGR
SCHEMBL4333126 0.89 LMNA (0.75) MAPTUSP2ESR1LMNAPGR
SCHEMBL4254922 0.89 MAPT (0.58) MAPTUSP2MAPK1ESR1LMNA
SCHEMBL6547189 0.89 MAPT (0.58) MAPTUSP2MAPK1ESR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101252936-A Pharmaceutically acceptable carrier for ophthalmic compositions NASCENT PHARMACEUTICAL INC (US) 2008-08-27 CN disclosed
EP-1858522-A4 PHARMACEUTICALLY ACCEPTABLE CARRIER FOR OPHTHALMIC COMPOSITIONS NASCENT PHARMACEUTICAL INC (US) 2008-07-16 EP disclosed
EP-1858522-A1 PHARMACEUTICALLY ACCEPTABLE CARRIER FOR OPHTHALMIC COMPOSITIONS Nascent Pharmaceutical, Inc. (US) 2007-11-28 EP disclosed
EP-1858523-A1 COMBINAION THERAPY FOR TOPICAL APPLICATION IN THE TREATMENT OF DRY EYE SYNDROME Nascent Pharmaceutical, Inc. (US) 2007-11-28 EP disclosed
US-20060211660-A1 Combination therapy for topical application in the treatment of dry eye syndrome ALTOS VISION LIMITED (GB) 2006-09-21 US disclosed
US-20060210645-A1 Pharmaceutically acceptable carrier for ophthalmic compositions ALTOS VISION LIMITED (GB) 2006-09-21 US disclosed
WO-2006094026-A1 PHARMACEUTICALLY ACCEPTABLE CARRIER FOR OPHTHALMIC COMPOSITIONS NASCENT PHARMACEUTICALS, INC. (US) 2006-09-08 WO disclosed
WO-2006094028-A1 COMBINAION THERAPY FOR TOPICAL APPLICATION IN THE TREATMENT OF DRY EYE SYNDROME NASCENT PHARMACEUTICALS, INC. (US) 2006-09-08 WO disclosed
CN-1404394-A Composition comprising a metal oxide and a metal oxide STERIX LTD (GB) 2003-03-19 CN disclosed
US-6096733-A Drugs for topical application of sex steroids in the treatment of dry eye syndrome, and methods of preparation and application Lubkin, Virginia (US) 2000-08-01 US disclosed