SCHEMBL3271545

SCHEMBL3271545

CCCCCCC(C)(C(=O)O)c1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.43
GAA P10253 1/20 0.40
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
NAAA Q02083 1/20 0.39
EGFR P00533 1/20 0.38
SCN5A Q14524 3/20 0.37
SCN9A Q15858 3/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
EPHX1 P07099 2/20 0.37
EPHX2 P34913 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL3271343 0.94 KIF11 (0.40) P2RX7GAACES2CES1ALDH1A1
SCHEMBL5691772 0.85 ALDH1A1 (0.43) GAACES2CES1ALDH1A1NAAA
SCHEMBL3242856 0.84 GAA (0.44) GAACES2CES1ALDH1A1NAAA
SCHEMBL29456136 0.84 GAA (0.44) GAACES2CES1ALDH1A1NAAA
SCHEMBL6344599 0.84 GAA (0.44) GAACES2CES1ALDH1A1NAAA
SCHEMBL29456058 0.84 GAA (0.44) GAACES2CES1ALDH1A1NAAA
SCHEMBL20563863 0.83 P2RX7 (0.41) P2RX7GAACNR1CNR2CES2
SCHEMBL28727517 0.83 GAA (0.43) GAACES2CES1ALDH1A1NAAA
SCHEMBL28727663 0.83 GAA (0.43) GAACES2CES1ALDH1A1NAAA
SCHEMBL28727490 0.83 GAA (0.43) GAACES2CES1ALDH1A1NAAA

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
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-2007028478-A1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCED PROPERTIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed
WO-2007028477-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed
WO-2007028480-A1 PARTICLES CONTAINING ZEOLITE AND PERFUME HAVING IMPROVED FRAGRANCE PROPERTIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed