SCHEMBL6400546

SCHEMBL6400546

C=C(CC(=O)OC(=O)CC(=CC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
TSHR P16473 1/20 0.50
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL1289878 0.88 KDM4E (0.62) KDM4ETSHR
SCHEMBL28088694 0.82 ALOX15 (0.46) ALOX15HSD17B10
SCHEMBL11856751 0.81 KDM4E (0.54) KDM4ETSHR
Aconitic Acid SCHEMBL11763623 0.79 TSHR (0.75) KDM4ETSHRALOX15HSD17B10
Aconitic Acid SCHEMBL6400543 0.79 TSHR (0.75) KDM4ETSHRALOX15HSD17B10
SCHEMBL28807064 0.78 TSHR (0.50) KDM4ETSHRALOX15HSD17B10
SCHEMBL323453 0.77 KDM4E (0.54) KDM4ETSHR
SCHEMBL28692168 0.75 TSHR (0.47) KDM4ETSHR
SCHEMBL28942452 0.74 TSHR (0.83) KDM4ETSHRALOX15HSD17B10
SCHEMBL15741505 0.74 TSHR (0.60) KDM4ETSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4021504-A Thermosetting coating composition of acrylic interpolymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-05-03 US claimed
CN-107266401-A Cleansing composition 株式会社新高 2017-10-20 CN disclosed
US-6903059-B2 Laundry detergent compositions comprising polyamines and mid-chain branched surfactants THE PROCTER & GAMBLE COMPANY (US) 2005-06-07 US disclosed
US-20040077514-A1 Laundry detergent compositions comprising polyamines and mid-chain branched surfactants PRICE KENNETH NATHAN (US) 2004-04-22 US disclosed
US-3990381-A Hydrophilic polymer coating for underwater structures NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1976-11-09 US disclosed