SCHEMBL4634211

SCHEMBL4634211

CCCCC(=C(O)c1ccccc1)C12CCC(CC1=O)C2(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
P2RX7 Q99572 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
NR5A1 Q13285 7/20 0.36
NR5A2 O00482 6/20 0.36
CNR1 P21554 3/20 0.36
CNR2 P34972 3/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL27817357 0.78 MEN1 (0.42) CYP1A2CYP2C19P2RX7MEN1ALDH1A1
SCHEMBL18131885 0.77 P2RX7 (0.39) CYP1A2CYP2C19P2RX7MEN1ALDH1A1
SCHEMBL7159754 0.75 MEN1 (0.41) CYP1A2CYP2C19P2RX7MEN1ALDH1A1
SCHEMBL27825548 0.71 CYP2C19 (0.40) CYP1A2CYP2C19P2RX7MEN1ALDH1A1
SCHEMBL28040132 0.70 P2RX7 (0.40) CYP1A2CYP2C19P2RX7MEN1ALDH1A1
SCHEMBL27629796 0.69 MEN1 (0.41) CYP1A2CYP2C19P2RX7MEN1ALDH1A1
SCHEMBL5418324 0.69 P2RX7 (0.45) CYP1A2CYP2C19P2RX7MEN1ALDH1A1
SCHEMBL28003009 0.69 MEN1 (0.42) CYP1A2CYP2C19P2RX7MEN1ALDH1A1
SCHEMBL22496025 0.69 MEN1 (0.41) CYP1A2CYP2C19P2RX7MEN1ALDH1A1
SCHEMBL1768748 0.68 CYP1A2 (0.40) CYP1A2CYP2C19MEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005065136-A2 OIL IN SILICONE EMULSIONS AND COMPOSITIONS CONTAINING SAME AVON PRODUCTS, INC. (US) 2005-07-21 WO claimed
WO-2005065154-A2 NOVEL ESTERS OF ARYL BENZIMIDAZOLE SULFONIC ACIDS AND SUNSCREEN COMPOSITIONS CONTAINING SAME AVON PRODUCTS, INC. (US) 2005-07-21 WO claimed
EP-3996670-A1 POLYURETHANE GELS Nanometics LLC (D.B.A. Phd Biosciences) (US) 2022-05-18 EP disclosed
WO-2021007489-A1 POLYURETHANE GELS NANOMETICS LLC (D.B.A. PHD BIOSCIENCES) (US) 2021-01-14 WO disclosed
EP-1928400-A2 SKIN CARE COMPOSITION COMPRISING INTERFERENCE PIGMENTS The Procter and Gamble Company (US) 2008-06-11 EP disclosed
EP-1901817-A2 PERSONAL CARE COMPOSITIONS AND METHODS FOR THE BEAUTIFICATION OF MAMMALIAN SKIN AND HAIR The Procter and Gamble Company (US) 2008-03-26 EP disclosed
WO-2007031970-A2 SKIN CARE COMPOSITION COMPRISING INTERFERENCE PIGMENTS THE PROCTER & GAMBLE COMPANY (US) 2007-03-22 WO disclosed
WO-2007007255-A2 PERSONAL CARE COMPOSITIONS AND METHODS FOR THE BEAUTIFICATION OF MAMMALIAN SKIN AND HAIR THE PROCTER & GAMBLE COMPANY (US) 2007-01-18 WO disclosed
WO-2005065136-A2 OIL IN SILICONE EMULSIONS AND COMPOSITIONS CONTAINING SAME AVON PRODUCTS, INC. (US) 2005-07-21 WO disclosed
WO-2005065154-A2 NOVEL ESTERS OF ARYL BENZIMIDAZOLE SULFONIC ACIDS AND SUNSCREEN COMPOSITIONS CONTAINING SAME AVON PRODUCTS, INC. (US) 2005-07-21 WO disclosed
WO-1999049878-A1 SKIN LIGHTENING COMPOSITION CONTAINING MAGNESIUM ASCORBYL PHOSPHATE AND UNINONTAN-U34TM (EXTRACT FORMULATION OF CUCUMBER EXTRACT AND LEMON EXTRACT) MARY KAY INC. (US) 1999-10-07 WO disclosed