SCHEMBL3275686

SCHEMBL3275686

CCC(C)(C(=O)O)c1ccccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
GAA P10253 3/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
NLRP3 Q96P20 1/20 0.35
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 2/20 0.34

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
SCHEMBL28700713 0.86 HPGD (0.44) RIPK1GABRA1GABRB2KDM4ETDP1
SCHEMBL3273533 0.86 TRPA1 (0.39) GABRA1GABRB2GAAKDM4ETDP1
SCHEMBL30887374 0.83 ALDH1A1 (0.42) RIPK1GAAKDM4ETDP1ALDH1A1
SCHEMBL3271343 0.83 KIF11 (0.40) GAATDP1ALDH1A1CYP2C19HIF1A
SCHEMBL1114876 0.81 ALDH1A1 (0.50) RIPK1KDM4ETDP1ALDH1A1CYP2C19
SCHEMBL3271545 0.80 P2RX7 (0.43) GAAALDH1A1
SCHEMBL3261991 0.80 POLQ (0.42) GAAKDM4ETDP1ALDH1A1ATM
SCHEMBL6908484 0.79 PPARG (0.42) ALDH1A1CYP2C19KMT2ASMN1; SMN2
SCHEMBL3504696 0.78 HPGD (0.38) RIPK1GAAKDM4ETDP1ALDH1A1
SCHEMBL1492728 0.76 CYP2C19 (0.50) RIPK1ALDH1A1CYP2C19HIF1ATSHR

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