SCHEMBL4582830

SCHEMBL4582830

CC=CC(Oc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
CYP2C19 P33261 1/20 0.43
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
PPARG P37231 7/20 0.39
PPARA Q07869 7/20 0.39
LDHA P00338 1/20 0.39
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.37
PTGS1 P23219 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
SCHEMBL20165420 0.88 KMT2A (0.39) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL3074423 0.80 CYP1A2 (0.51) CYP1A2CYP2C9PPARGPPARACYP2D6
SCHEMBL3074419 0.80 CYP1A2 (0.51) CYP1A2CYP2C9PPARGPPARACYP2D6
SCHEMBL3074420 0.80 CYP1A2 (0.51) CYP1A2CYP2C9PPARGPPARACYP2D6
SCHEMBL3074422 0.80 CYP1A2 (0.51) CYP1A2CYP2C9PPARGPPARACYP2D6
SCHEMBL354834 0.79 CYP1A2 (0.43) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL5556068 0.77 CYP2C19 (0.42) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL10334776 0.75 CYP2D6 (0.44) CYP1A2CYP2C19CYP2D6ALDH1A1LMNA
SCHEMBL10336142 0.75 MEN1 (0.42) GAACYP1A2CYP2C9PKMCYP2C19
SCHEMBL27650314 0.74 CYP1A2 (0.40) GAACYP1A2CYP2C9PKMCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113330104-A Multi-component cleaning system 汉高股份有限及两合公司 2021-08-31 CN disclosed
EP-1884555-A2 Masking mineral oil smell and scenting of mineral oils Symrise GmbH & Co. KG (DE) 2008-02-06 EP disclosed
EP-1412467-B1 FABRIC SOFTENER COMPOSITION GIVAUDAN SA (CH) 2005-11-23 EP disclosed
US-20050049173-A1 Having an upper hydrophobic phase comprising a fragrance and a lower aqueous phase comprising a cationic softener wherein the pH value of the aqueous phase is below 4; prolonged release of fragrance on fabrics up to 7 days BLONDEAU PHILIPPE (FR) 2005-03-03 US disclosed
EP-1412467-A1 FABRIC SOFTENER COMPOSITION Givaudan SA (CH) 2004-04-28 EP disclosed
EP-1063229-B1 Alpha, beta-unsaturated ketones GIVAUDAN SA (CH) 2003-02-19 EP disclosed
WO-2003012022-A1 FABRIC SOFTENER COMPOSITION GIVAUDAN SA (CH) 2003-02-13 WO disclosed
EP-1279726-A1 Fabric softener composition Givaudan SA (CH) 2003-01-29 EP disclosed
US-6184419-B1 HAVING A GREEN-GALBANUM, FRESH (METALLIC, UNDECATRIENE TYPE) AND FRUITY-PINEAPPLE AND/OR FRUITY-CASSIS ODOR; AN INTENSE AND LONG LASTING ODOR; PERFUMES; HOUSEHOLD AND LAUNDRY PRODUCTS; COSMETICS GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2001-02-06 US disclosed
EP-1063229-A1 Alpha, beta-unsaturated ketones Givaudan SA (CH) 2000-12-27 EP disclosed