SCHEMBL1716119

SCHEMBL1716119

CC(Oc1ccccc1)C(C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
PKM P14618 1/20 0.52
CYP2C19 P33261 1/20 0.52
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
PPARG P37231 4/20 0.45
PPARA Q07869 4/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
PTGS1 P23219 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41
CA4 P22748 1/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 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
SCHEMBL21992550 0.86 TAS1R3 (0.55) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL23605973 0.84 PPARG (0.46) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL21991788 0.82 PPARA (0.51) CYP1A2CYP2C9CYP2C19PPARGPPARA
SCHEMBL21991490 0.82 LDHA (0.61) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL21991796 0.82 ALDH1A1 (0.51) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL7805109 0.82 GAA (0.50) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL10440741 0.80 CYP1A2 (0.49) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL2895192 0.80 CYP1A2 (0.49) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL2895193 0.80 CYP1A2 (0.49) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL1453272 0.79 CA4 (0.48) GAACYP1A2CYP2C9PKMCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3509647-B1 ABSORBENT ARTICLES INCLUDING PERFUME AND CYCLODEXTRINS PROCTER & GAMBLE (US) 2020-10-21 EP claimed
EP-2854750-B1 TRPA1 ANTAGONISTS FOR REDUCING NEGATIVE SENSATIONS CAUSED BY HYDROGEN PEROXIDE PROCTER & GAMBLE (US) 2019-10-02 EP claimed
EP-2507237-A1 IMIDAZOQUINOLINES WHICH ACT VIA TOLL - LIKE RECEPTORS (TLR) Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-10-10 EP claimed
EP-1716159-B1 BICYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS MOMENTIVE PERFORMANCE MAT INC (US) 2011-07-13 EP claimed
EP-1290132-B1 FABRIC CARE COMPOSITIONS AND SYSTEMS FOR DELIVERING CLEAN, FRESH SCENT IN A LIPOPHILIC FLUID TREATMENT PROCESS PROCTER & GAMBLE (US) 2008-04-30 EP claimed
EP-1697386-B1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GEN ELECTRIC (US) 2007-10-10 EP claimed
EP-0991327-B1 MICROORGANISM REDUCTION METHODS AND COMPOSITIONS FOR FOOD CLEANING PROCTER & GAMBLE (US) 2004-12-01 EP claimed
EP-0847693-B1 Acaricidal composition TAKASAGO PERFUMERY CO LTD (JP) 2001-02-14 EP claimed
EP-0428276-B1 Acaricidal composition TAKASAGO PERFUMERY CO LTD (JP) 1998-09-16 EP claimed
EP-2145042-B2 TEXTILE SCENTING HENKEL AG & CO KGAA (DE) 2021-10-06 EP disclosed
EP-2145042-B1 TEXTILE SCENTING HENKEL AG & CO KGAA (DE) 2018-01-17 EP disclosed
EP-2998001-A1 COMPOSITION FOR REDUCTION OF TRPA1 AND TRPV1 SENSATIONS The Procter and Gamble Company (US) 2016-03-23 EP disclosed
EP-2507237-A1 IMIDAZOQUINOLINES WHICH ACT VIA TOLL - LIKE RECEPTORS (TLR) Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-10-10 EP disclosed
WO-2011068233-A1 IMIDAZOQUINOLINES WHICH ACT VIA TOLL - LIKE RECEPTORS (TLR) DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-06-09 WO disclosed
EP-2145042-A1 TEXTILE SCENTING Henkel AG & Co. KGaA (DE) 2010-01-20 EP disclosed
WO-2008135306-A1 TEXTILE SCENTING HENKEL AG & CO. KGAA (DE) 2008-11-13 WO disclosed
EP-1928992-A1 CONSUMER PRODUCTS HAVING VARYING ODORS Henkel AG & Co. KGaA (DE) 2008-06-11 EP disclosed
EP-1922398-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-05-21 EP disclosed
WO-2007028477-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed
WO-2007028479-A1 CONSUMER PRODUCTS HAVING VARYING ODORS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed