SCHEMBL1716741

SCHEMBL1716741

CCC1(CCC(=O)O)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
BLM P54132 1/20 0.44
CACNA2D1 P54289 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2C19 P33261 1/20 0.38
FFAR3 O14843 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
MME P08473 1/20 0.36
AKR1B1 P15121 1/20 0.33
PPARG P37231 6/20 0.32
PPARD Q03181 6/20 0.32
PPARA Q07869 6/20 0.32
GPR84 Q9NQS5 5/20 0.32

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
SCHEMBL21858440 0.98 TSHR (0.41) TSHRALDH1A1CYP1A2USP2LMNA
SCHEMBL15538586 0.84 LMNA (0.46) TSHRALDH1A1CYP1A2USP2LMNA
SCHEMBL8267489 0.83 ALDH1A1 (0.36) TSHRALDH1A1CYP1A2USP2LMNA
SCHEMBL3879820 0.81 AKR1B1 (0.47) TSHRALDH1A1AKR1B1PPARGPPARD
SCHEMBL10064912 0.79 LMNA (0.40) TSHRALDH1A1CYP1A2USP2LMNA
SCHEMBL3195737 0.78 ALDH1A1 (0.63) TSHRALDH1A1CYP1A2USP2LMNA
SCHEMBL3402007 0.78 ALDH1A1 (0.57) TSHRALDH1A1CYP1A2USP2LMNA
Hydrochloric Acid SCHEMBL18221826 0.78 BLM (0.62) TSHRALDH1A1CYP1A2USP2LMNA
SCHEMBL15492892 0.77 USP2 (0.32) TSHRALDH1A1CYP1A2USP2LMNA
SCHEMBL10031230 0.76 CYP1A2 (0.38) TSHRALDH1A1CYP1A2USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716159-B1 BICYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS MOMENTIVE PERFORMANCE MAT INC (US) 2011-07-13 EP claimed
EP-1697386-B1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GEN ELECTRIC (US) 2007-10-10 EP claimed
EP-1328161-B1 AMBIENT STABLE BEVERAGE UNILEVER PLC (GB) 2007-04-18 EP claimed
EP-1282369-B1 AMBIENT STABLE BEVERAGE UNILEVER PLC (GB) 2006-11-22 EP claimed
EP-1282370-B1 AMBIENT STABLE BEVERAGE UNILEVER PLC (GB) 2005-12-07 EP claimed
US-11920104-B2 Ethers and esters of 1-substituted cycloalkanols for use as aroma chemicals BASF SE (DE) 2024-03-05 US disclosed
US-20210340461-A1 ETHERS AND ESTERS OF 1-SUBSTITUTED CYCLOALKANOLS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2021-11-04 US disclosed
EP-2145042-B2 TEXTILE SCENTING HENKEL AG & CO KGAA (DE) 2021-10-06 EP disclosed
WO-2020079007-A1 ETHERS AND ESTERS OF 1-SUBSTITUTED CYCLOALKANOLS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2020-04-23 WO disclosed
EP-2145042-B1 TEXTILE SCENTING HENKEL AG & CO KGAA (DE) 2018-01-17 EP 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