SCHEMBL3270060

SCHEMBL3270060

CC(C)(Cc1ccccc1)C(C)(C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
HIF1A Q16665 1/20 0.53
SLC6A2 P23975 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.45
CYP2D6 P10635 1/20 0.45
TRPA1 O75762 1/20 0.44
MMP8 P22894 4/20 0.44
CYP1A2 P05177 2/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.43
MAPK1 P28482 1/20 0.42
FDPS P14324 1/20 0.42
CES2 O00748 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
SCHEMBL27315138 0.84 BLM (0.49) SMN1; SMN2HIF1ATAAR1CYP3A4CYP2C9
SCHEMBL16321816 0.84 SMN1; SMN2 (0.50) SMN1; SMN2HIF1ASLC6A2TAAR1PPARG
SCHEMBL331854 0.80 CYP3A4 (0.45) SMN1; SMN2HIF1ASLC6A2TAAR1CYP3A4
SCHEMBL27908890 0.78 SMN1; SMN2 (0.57) SMN1; SMN2HIF1ASLC6A2TAAR1PPARG
SCHEMBL517462 0.78 SMN1; SMN2 (0.57) SMN1; SMN2HIF1ASLC6A2TAAR1PPARG
SCHEMBL8710382 0.78 SMN1; SMN2 (0.57) SMN1; SMN2HIF1ASLC6A2TAAR1PPARG
SCHEMBL21269108 0.77 SMN1; SMN2 (0.55) SMN1; SMN2HIF1ASLC6A2TAAR1PPARG
SCHEMBL3818364 0.77 SMN1; SMN2 (0.55) SMN1; SMN2HIF1ASLC6A2TAAR1PPARG
SCHEMBL21269898 0.77 SMN1; SMN2 (0.55) SMN1; SMN2HIF1ASLC6A2TAAR1PPARG
SCHEMBL21269500 0.77 SMN1; SMN2 (0.55) SMN1; SMN2HIF1ASLC6A2TAAR1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107868226-B Preparation method of narrow-distribution diisocyanate trimer 万华化学集团股份有限公司 2020-08-28 CN disclosed
EP-1920042-B1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCED PROPERTIES HENKEL AG & CO KGAA (DE) 2010-06-23 EP disclosed
EP-2046929-A1 LIQUID SUPPORT Henkel AG & Co. KGaA (DE) 2009-04-15 EP disclosed
EP-2038391-A1 WASHING, CLEANING AND CARE PRODUCTS Henkel AG & Co. KGaA (DE) 2009-03-25 EP disclosed
WO-2008116509-A1 CLEANING AGENT HENKEL AG & CO. KGAA (DE) 2008-10-02 WO disclosed
EP-1922398-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-05-21 EP disclosed
EP-1920042-A1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCED PROPERTIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-05-14 EP disclosed
WO-2008012140-A1 LIQUID SUPPORT HENKEL AG & CO. KGAA (DE) 2008-01-31 WO disclosed
WO-2008003631-A1 WASHING, CLEANING AND CARE PRODUCTS HENKEL AG & CO. KGAA (DE) 2008-01-10 WO disclosed
WO-2007118747-A1 AQUEOUS CLEANING AGENT CONTAINING PERFUME HENKEL AG & CO. KGAA (DE) 2007-10-25 WO disclosed
WO-2007028477-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed
WO-2007028478-A1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCED PROPERTIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed