SCHEMBL4585643

SCHEMBL4585643

CCCCC(=O)O[C@H]1[C@H](O)C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.73
ESR1 P03372 6/20 0.73
MAPT P10636 5/20 0.73
KMT2A Q03164 5/20 0.73
CYP3A4 P08684 4/20 0.73
MEN1 O00255 4/20 0.73
PGR P06401 3/20 0.73
AR P10275 3/20 0.73
PTGS1 P23219 3/20 0.73
TP53 P04637 3/20 0.73
ALOX15 P16050 2/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
ADORA3 P0DMS8 2/20 0.73
PDE3A Q14432 2/20 0.73
POLB P06746 1/20 0.73
CHRM1 P11229 1/20 0.73
TBXA2R P21731 1/20 0.73
ATM Q13315 1/20 0.73
USP2 O75604 1/20 0.73
ESR2 Q92731 3/20 0.63

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
SCHEMBL5527384 0.91 KMT2A (0.71) LMNAESR1MAPTKMT2ACYP3A4
SCHEMBL10361012 0.91 LMNA (0.60) LMNAESR1MAPTKMT2ACYP3A4
SCHEMBL4619351 0.89 LMNA (0.62) LMNAESR1MAPTKMT2ACYP3A4
SCHEMBL4254922 0.88 MAPT (0.58) LMNAESR1MAPTKMT2ACYP3A4
SCHEMBL6547189 0.88 MAPT (0.58) LMNAESR1MAPTKMT2ACYP3A4
SCHEMBL10710638 0.87 MAPT (0.57) LMNAESR1MAPTKMT2ACYP3A4
SCHEMBL10360650 0.85 MAPT (0.60) LMNAESR1MAPTKMT2ACYP3A4
Estradiol Valerate SCHEMBL21437462 0.84 LMNA (1.00) LMNAESR1MAPTKMT2ACYP3A4
Estradiol Valerate SCHEMBL29772962 0.84 LMNA (1.00) LMNAESR1MAPTKMT2ACYP3A4
Estradiol Valerate SCHEMBL40563 0.84 LMNA (1.00) LMNAESR1MAPTKMT2ACYP3A4

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-2006094028-A1 COMBINAION THERAPY FOR TOPICAL APPLICATION IN THE TREATMENT OF DRY EYE SYNDROME NASCENT PHARMACEUTICALS, INC. (US) 2006-09-08 WO disclosed
WO-2006094026-A1 PHARMACEUTICALLY ACCEPTABLE CARRIER FOR OPHTHALMIC COMPOSITIONS 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