SCHEMBL2146882

SCHEMBL2146882

C/C=C(\C)C(=O)c1c(O)c(/C(=C\C(=O)O)c2ccccc2)c2c(c1OC)C=CC(C)(C)O2.O=c1cc(-c2ccccc2)c2ccccc2o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.37
▸ CA9 Q16790 5/20 0.35
▸ CA12 O43570 4/20 0.35
▸ CA1 P00915 4/20 0.35
▸ CA7 P43166 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ CA13 Q8N1Q1 3/20 0.35
▸ USP2 O75604 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ HPGD P15428 2/20 0.34
▸ CA2 P00918 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SLCO1B3 Q9NPD5 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ SLCO1B1 Q9Y6L6 1/20 0.34

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
SCHEMBL2146475 0.87 ALDH1A1 (0.41) CYP3A4KDM4EUSP2HSD17B10MEN1
SCHEMBL2146479 0.77 CA12 (0.44) CYP3A4CA9CA12CA1CA7
SCHEMBL30876198 0.77 CA12 (0.44) CYP3A4CA9CA12CA1CA7
SCHEMBL8700878 0.64 PTPN1 (0.36) CYP3A4KDM4EUSP2HSD17B10MEN1
SCHEMBL7126871 0.64 PTPN1 (0.36) CYP3A4KDM4EUSP2HSD17B10MEN1
SCHEMBL7126875 0.64 PTPN1 (0.36) CYP3A4KDM4EUSP2HSD17B10MEN1
SCHEMBL31036121 0.64 CA12 (0.55) CYP3A4CA9CA12CA1CA7
Calanone SCHEMBL29894123 0.63 PDE4D (0.43) CYP3A4CA9CA12CA1CA7
SCHEMBL31345911 0.63 PTGES (0.60) CYP3A4KDM4EUSP2HSD17B10MEN1
SCHEMBL8663835 0.62 CTSV (0.49) CYP3A4CA9CA12CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3200838-A1 STABLE HYDROGEL COMPOSITIONS INCLUDING ADDITIVES Allergan Industrie, SAS (FR) 2017-08-09 — — EP disclosed
WO-2016051219-A1 STABLE HYDROGEL COMPOSITIONS INCLUDING ADDITIVES ALLERGAN INDUSTRIE, SAS (FR) 2016-04-07 — — WO disclosed
EP-2663342-A1 STABLE HYDROGEL COMPOSITIONS INCLUDING ADDITIVES Allergan, Inc. (US) 2013-11-20 — — EP disclosed
EP-2544652-A2 A FLUID COMPOSITION COMPRISING A HYALURONAN POLYMER AND MANNITOL FOR IMPROVING SKIN CONDITION. Allergan Industrie SAS (FR) 2013-01-16 — — EP disclosed
EP-2523701-A1 STABLE HYDROGEL COMPOSITIONS INCLUDING ADDITIVES Allergan Industrie, SAS (FR) 2012-11-21 — — EP disclosed
WO-2012097272-A1 STABLE HYDROGEL COMPOSITIONS INCLUDING ADDITIVES ALLERGAN, INC. (US) 2012-07-19 — — WO disclosed
WO-2011110894-A2 FLUID COMPOSITION FOR IMPROVING SKIN CONDITIONS ALLERGAN INDUSTRIE SAS (FR) 2011-09-15 — — WO disclosed
WO-2011086458-A1 STABLE HYDROGEL COMPOSITIONS INCLUDING ADDITIVES ALLERGAN INDUSTRIE, SAS (FR) 2011-07-21 — — WO disclosed
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