SCHEMBL5016004

SCHEMBL5016004

CC(C)(C)c1cc(O)ccc1OC(=O)c1cc(O)c(O)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 5/20 0.55
POLB P06746 2/20 0.50
POLA1 P09884 1/20 0.50
ANTXR2 P58335 1/20 0.50
NSD2 O96028 1/20 0.46
TYR P14679 3/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
NR1I2 O75469 1/20 0.46
CYP2C9 P11712 1/20 0.46
MIF P14174 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
NFE2L2 Q16236 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.45
NFKB1 P19838 1/20 0.45
XDH P47989 1/20 0.45
GFER P55789 1/20 0.45

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
SCHEMBL14092702 0.86 NR1H4 (0.47) TYRALDH1A1LMNANR1I2CYP2C9
SCHEMBL6674203 0.84 ESR1 (0.57) SERPINE1TYRALDH1A1LMNANR1I2
SCHEMBL28945602 0.82 RARB (0.50) TYRALDH1A1LMNANR1I2CYP2C9
Bicarbonate SCHEMBL11154685 0.81 RARB (0.49) TYRALDH1A1LMNANR1I2CYP2C9
Bicarbonate SCHEMBL11155617 0.79 ESR1 (0.43) TYRALDH1A1LMNANR1I2CYP2C9
SCHEMBL4733319 0.78 SERPINE1 (0.54) SERPINE1POLBPOLA1ANTXR2NSD2
SCHEMBL3864856 0.78 ALDH1A1 (0.50) TYRALDH1A1LMNANR1I2CYP2C9
SCHEMBL13509242 0.77 POLB (0.49) SERPINE1POLBTYRALDH1A1LMNA
SCHEMBL3858540 0.77 APEX1 (0.50) TYRLMNATDP1L3MBTL1NR1H4
SCHEMBL76989 0.77 APEX1 (0.50) SERPINE1LMNATDP1L3MBTL1NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1767218-B1 ANTIINFLAMMATORY AND ANALGESIC PREPARATION FOR EXTERNAL USE HISAMITSU PHARMACEUTICAL CO (JP) 2016-08-10 EP disclosed
US-8877813-B2 Antiinflammatory and analgesic preparation for external use HISAMITSU PHARMACEUTICALS CO., INC. (JP) 2014-11-04 US disclosed
US-20080031835-A1 Antiinflammatory And Analgesic Preparation For External Use HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2008-02-07 US disclosed
EP-1767218-A1 ANTIINFLAMMATORY AND ANALGESIC PREPARATION FOR EXTERNAL USE HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2007-03-28 EP disclosed
US-20060188557-A1 Prepartaion for external percutaneous administration containing non-steroidal anti-inflammatory drug and interleukin-1 alpha production inhibitor HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2006-08-24 US disclosed
EP-1627644-A1 PREPARTAION FOR EXTERNAL PERCUTANEOUS ADMINISTRATION CONTAINING NON-STEROIDAL ANTI-INFLAMMATORY DRUG AND INTERLEUKIN-1a PRODUC TION INHIBITOR HISAMITSU PHARMACEUTICAL CO. INC. (JP) 2006-02-22 EP disclosed
US-20050181031-A1 Solifenacin transdermal preparation and method for enhancing transdermal permeation thereof ASTELLAS PHARMA INC. (JP) 2005-08-18 US disclosed