SCHEMBL1458057

SCHEMBL1458057

C=CC[C@H](C(=O)O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 1.00
CYP2D6 P10635 1/20 0.45
SRC P12931 1/20 0.45
POLB P06746 1/20 0.44
LMNA P02545 3/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
EPHX1 P07099 1/20 0.43
CPN1 P15169 1/20 0.42
CPB2 Q96IY4 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL666893 1.00 CYP2C19 (1.00) CYP2C19CYP2D6SRCPOLBLMNA
SCHEMBL1458050 1.00 CYP2C19 (1.00) CYP2C19CYP2D6SRCPOLBLMNA
SCHEMBL10959538 0.98 CYP2C19 (0.96) CYP2C19CYP2D6SRCPOLBLMNA
SCHEMBL1457969 0.98 CYP2C19 (0.96) CYP2C19CYP2D6SRCPOLBLMNA
SCHEMBL1458161 0.98 CYP2C19 (0.96) CYP2C19CYP2D6SRCPOLBLMNA
Methyl Alcohol SCHEMBL11775681 0.96 CYP2C19 (0.93) CYP2C19CYP2D6SRCPOLBLMNA
SCHEMBL5156636 0.89 CYP2C19 (0.80) CYP2C19LMNA
SCHEMBL5371218 0.88 CYP2C19 (0.79) CYP2C19CYP2D6SRCPOLBLMNA
SCHEMBL6967261 0.86 CYP2C19 (0.76) CYP2C19CYP2D6SRCLMNAMAPK1
SCHEMBL7469210 0.85 CYP2C19 (0.73) CYP2C19CPN1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130204238-A1 COMBINATION THERAPY FOLLICA, INC (US) 2013-08-08 US disclosed
EP-2552323-A1 COMBINATION THERAPY Follica, Inc. (US) 2013-02-06 EP disclosed
WO-2012125941-A1 LITHIUM TREATMENT FOR MICROBIAL INFECTIONS FOLLICA, INC. (US) 2012-09-20 WO disclosed
WO-2012067631-A1 BODY SURFACE TREATMENT FOLLICA, INC. (US) 2012-05-24 WO disclosed
WO-2012067630-A1 HAIR GROWTH TREATMENT FOLLICA, INC. (US) 2012-05-24 WO disclosed
WO-2012067632-A1 SEQUENTIAL BODY SURFACE TREATMENT FOLLICA, INC. (US) 2012-05-24 WO disclosed
WO-2011123218-A1 COMBINATION THERAPY FOLLICA, INC. (US) 2011-10-06 WO disclosed
US-20110130748-A1 BODY SURFACE TREATMENT FOLLICA, INC. (US) 2011-06-02 US disclosed
US-20110130706-A1 SEQUENTIAL BODY SURFACE TREATMENT FOLLICA, INC. (US) 2011-06-02 US disclosed
US-20110130711-A1 HAIR GROWTH TREATMENT FOLLICA, INC. (US) 2011-06-02 US disclosed
WO-2011031990-A1 INTERMITTENT AND PULSE LITHIUM TREATMENTS FOR MODULATING HAIR GROWTH FOLLICA, INC. (US) 2011-03-17 WO disclosed
WO-2011031977-A1 INTERMITTENT AND PULSE LITHIUM TREATMENTS FOR SCAR REVISION AND WOUND HEALING FOLLICA, INC. (US) 2011-03-17 WO disclosed
EP-1077942-B1 CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS AVENTIS PHARMA INC (US) 2005-01-12 EP disclosed
US-6316445-B1 TACHYKININ RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. 2001-11-13 US disclosed
EP-1077942-A1 CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2001-02-28 EP disclosed
WO-1999059972-A1 CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 1999-11-25 WO disclosed
US-5932571-A Substituted N-methyl-N-(4-(4-(1H-benzimidazol-2-yl) {1,4}diazepan-1-yl)-2-(aryl) butyl) benzamides useful for the treatment of allergic diseases HOECHST MARION ROUSSEL, INC. (US) 1999-08-03 US disclosed