SCHEMBL173883

SCHEMBL173883

CC(C)(CCc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
LTB4R Q15722 4/20 0.51
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
ALDH1A1 P00352 1/20 0.50
KEAP1 Q14145 1/20 0.48
PPARA Q07869 2/20 0.47
POLB P06746 1/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL30080837 1.00 CYP1A2 (0.51) CYP1A2CYP2C9LTB4RHDAC3HDAC4
SCHEMBL28246708 0.98 LTB4R (0.50) CYP1A2CYP2C9LTB4RHDAC3HDAC4
Nitrous Acid SCHEMBL27832714 0.93 CYP1A2 (0.50) CYP1A2CYP2C9LTB4RHDAC3HDAC4
SCHEMBL22921420 0.91 SLC13A5 (0.50) CYP1A2CYP2C9LTB4RHDAC3HDAC4
SCHEMBL584902 0.88 LTB4R (0.59) LTB4RHDAC3HDAC4HDAC1HDAC7
SCHEMBL29314248 0.86 SLC13A5 (0.46) CYP1A2CYP2C9LTB4RHDAC3HDAC4
SCHEMBL8287226 0.86 ALDH1A1 (0.53) CYP1A2CYP2C9HDAC3HDAC4HDAC1
SCHEMBL6803588 0.86 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6372107 0.85 LTB4R (0.68) LTB4RHDAC3HDAC4HDAC1HDAC7
SCHEMBL17748289 0.85 LTB4R (0.68) LTB4RHDAC3HDAC4HDAC1HDAC7

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 609 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396587-A Oral care flavor and assessment method for improving relaxation state 奇华顿股份有限公司 2024-01-12 CN claimed
CN-117396589-A Oral care flavor and assessment method for improving pleasure status 奇华顿股份有限公司 2024-01-12 CN claimed
US-20230151305-A1 FRAGRANCE COMPOSITION SA, GIVAUDAN (CH) 2023-05-18 US claimed
EP-4146778-A1 FRAGRANCE COMPOSITION Givaudan SA (CH) 2023-03-15 EP claimed
CN-109689848-B Fragrance composition 奇华顿股份有限公司 2022-12-23 CN claimed
CN-110106024-B Honey essence for daily use chemicals 广州宝士迪香精香料有限公司 2022-08-12 CN claimed
WO-2021224201-A1 FRAGRANCE COMPOSITION GIVAUDAN SA (CH) 2021-11-11 WO claimed
EP-3387099-B1 FOOD CONTACT SURFACE SANITIZING LIQUID CLOROX CO (US) 2021-07-21 EP claimed
EP-2844065-B1 LURE COMPOSITION ATTRATEC GMBH (DE) 2021-01-06 EP claimed
CN-112143564-A Daily chemical essence with fruit fragrance and preparation method thereof 广东芬豪生物科技有限公司 2020-12-29 CN claimed
EP-1716159-B1 BICYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS MOMENTIVE PERFORMANCE MAT INC (US) 2011-07-13 EP claimed
EP-2072083-A1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma Symrise GmbH & Co. KG (DE) 2009-06-24 EP claimed
EP-1697386-B1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GEN ELECTRIC (US) 2007-10-10 EP claimed
WO-2007042410-A1 DEODORIZING CLEANSING PREPARATION BEIERSDORF AG (DE) 2007-04-19 WO claimed
EP-1682230-A1 4,8-DIMETHYL-7-NONEN-2-ONE AND 4,8-DIMETHYLNONAN-2-ONE USED AS PERFUMES Symrise GmbH & Co. KG (DE) 2006-07-26 EP claimed
WO-2005004825-A1 4,8-DIMETHYL-7-NONEN-2-ONE AND 4,8-DIMETHYLNONAN-2-ONE USED AS PERFUMES SYMRISE GMBH & CO. KG (DE) 2005-01-20 WO claimed
US-6727221-B1 APPLYING TO HUMAN SKIN A PERFUME COMPOSITION COMPRISING AT LEAST 50% BY WEIGHT OF PERFUME COMPONENTS HAVING A MINIMUM INHIBITORY CONCENTRATION (MIC) FOR CORYNEFORM BACTERIA OF GREATER THAN 0.1% QUEST INTERNATIONAL B.V. (NL) 2004-04-27 US claimed
EP-1029032-B1 LAUNDRY TREATMENT PRODUCTS FOR SPANDEX CONTAINING FABRICS UNILEVER PLC (GB) 2004-03-03 EP claimed
EP-1094784-B1 PERFUME COMPOSITION QUEST INT (NL) 2004-02-11 EP claimed
WO-2002098966-A2 AROMATIC PRINCIPLES FOR IMPROVING THE STABILITY IN STORAGE AND/OR FOR IMPROVING THE SOLUBILITY OF POLYVINYL ALCOHOLS AND/OR POLYVINYL ALCOHOLS WITH BONDED CELLULOSE DROM FRAGRANCES INTERNATIONAL KG (DE) 2002-12-12 WO claimed