SCHEMBL3929918

SCHEMBL3929918

CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
MDM4 O15151 1/20 0.55
MDM2 Q00987 1/20 0.55
GRIA1 P42261 1/20 0.54
TP53 P04637 1/20 0.53
POLB P06746 3/20 0.52
TACR1 P25103 1/20 0.52
BACE1 P56817 1/20 0.52
ACE P12821 1/20 0.51
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50

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
SCHEMBL12009639 1.00 ALDH1A1 (0.57) ALDH1A1MDM4MDM2GRIA1TP53
Bicarbonate SCHEMBL30452528 0.95 MDM4 (0.51) ALDH1A1MDM4MDM2GRIA1TP53
SCHEMBL21466071 0.95 ALDH1A1 (0.50) ALDH1A1MDM4MDM2GRIA1POLB
SCHEMBL29352083 0.95 ALDH1A1 (0.50) ALDH1A1MDM4MDM2GRIA1POLB
SCHEMBL23169896 0.94 ALDH1A1 (0.62) ALDH1A1TP53POLBTACR1ACE
SCHEMBL3935791 0.93 OPRM1 (0.55) ALDH1A1MDM4MDM2TP53BACE1
SCHEMBL4149820 0.90 MDM4 (0.67) ALDH1A1MDM4MDM2GRIA1POLB
SCHEMBL4156306 0.90 ACE (0.62) MDM4MDM2GRIA1POLBTACR1
SCHEMBL4156308 0.90 ACE (0.62) MDM4MDM2GRIA1POLBTACR1
SCHEMBL4156226 0.90 ACE (0.62) MDM4MDM2GRIA1POLBTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420424-B1 ADMINISTERING PHENYLALANINE AMIDE DERIVATIVES (SUCH AS S-ETHYL-2-AMINO-3-(4-CHLOROPHENYL)PROPIONATE HYDROCHLORIDE) TO TREAT ALLERGIC DISORDERS, INCLUDING ASTHMA, RHINITIS, DERMATITUS, AND PRURITIS SMITHKLINE BEECHAM CORPORATION 2002-07-16 US claimed
JP-2002512960-A 2002-05-08 JP claimed
EP-1073434-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-02-07 EP claimed
WO-1999055330-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-04 WO claimed
CN-100562748-C Method for predicting skin spot formation using spot-site-enhancing gene group as indicator, and method for screening inhibitor of skin spot formation SHISEIDO CO LTD (JP) 2009-11-25 CN disclosed
EP-1691199-B1 METHOD OF PREDICTING SPOT FORMATION ON THE SKIN WITH THE USE OF SPOT SITE-ACCELERATING GENES AS INDICATION AND METHOD OF SCREENING INHIBITOR FOR SPOT FORMATION ON THE SKIN SHISEIDO CO LTD (JP) 2009-04-01 EP disclosed
US-20070249915-A1 Inhibitors SHISEIDO COMPANY, LTD. (JP) 2007-10-25 US disclosed
CN-1856709-A Method of predicting spot formation on the skin with the use of spot site-accelerating genes as indication and method of screening inhibitor for spot formation on the skin SHISEIDO CO LTD (JP) 2006-11-01 CN disclosed
EP-1691199-A1 METHOD OF PREDICTING SPOT FORMATION ON THE SKIN WITH THE USE OF SPOT SITE-ACCELERATING GENES AS INDICATION AND METHOD OF SCREENING INHIBITOR FOR SPOT FORMATION ON THE SKIN SHISEIDO COMPANY LIMITED (JP) 2006-08-16 EP disclosed
US-6420424-B1 ADMINISTERING PHENYLALANINE AMIDE DERIVATIVES (SUCH AS S-ETHYL-2-AMINO-3-(4-CHLOROPHENYL)PROPIONATE HYDROCHLORIDE) TO TREAT ALLERGIC DISORDERS, INCLUDING ASTHMA, RHINITIS, DERMATITUS, AND PRURITIS SMITHKLINE BEECHAM CORPORATION 2002-07-16 US disclosed
EP-1073434-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-02-07 EP disclosed
WO-1999055330-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-04 WO disclosed