SCHEMBL3271650

SCHEMBL3271650

CC1(C)CCCCC1(C)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.45
CYP1A2 P05177 2/20 0.42
TSHR P16473 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
BLM P54132 1/20 0.42
CACNA2D1 P54289 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 2/20 0.37
HSD11B1 P28845 2/20 0.34
FFAR3 O14843 1/20 0.33
GABRA5 P31644 1/20 0.32
GABRB2 P47870 1/20 0.32
NFKB1 P19838 1/20 0.31

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
SCHEMBL21457843 0.95 CYP1A2 (0.41) CYP2C19CYP1A2TSHRUSP2ALDH1A1
SCHEMBL20017868 0.88 CYP2C19 (0.50) CYP2C19CYP1A2TSHRUSP2ALDH1A1
SCHEMBL21457831 0.80 CYP2C19 (0.43) CYP2C19CYP1A2TSHRUSP2ALDH1A1
SCHEMBL8795636 0.79 TSHR (0.32) CYP2C19CYP1A2TSHRNFKB1
SCHEMBL29053216 0.78 TDP1 (0.36) CYP2C19
SCHEMBL13451208 0.78 CYP2C19 (0.42) CYP2C19CYP1A2TSHRUSP2ALDH1A1
SCHEMBL21457837 0.76 CYP1A2 (0.40) CYP2C19CYP1A2TSHRUSP2ALDH1A1
SCHEMBL7588701 0.75 CYP2C19 (0.44) CYP2C19CYP1A2TSHRUSP2ALDH1A1
SCHEMBL27598522 0.74 CYP1A2 (0.44) CYP2C19CYP1A2TSHRUSP2ALDH1A1
SCHEMBL11536297 0.74 CYP1A2 (0.33) CYP2C19CYP1A2TSHRUSP2ALDH1A1

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-3386940-B1 SUBSTITUTED CYCLOPENTYL- AND CYCLOHEXYL-DERIVATIVES USEFUL FOR PERFUMERY GIVAUDAN SA (CH) 2019-10-16 EP claimed
EP-3684898-A1 ACTIVE SUBSTANCE WAFER Symrise AG (DE) 2020-07-29 EP disclosed
WO-2019057294-A1 ACTIVE SUBSTANCE WAFER SYMRISE AG (DE) 2019-03-28 WO 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-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