SCHEMBL8853422

SCHEMBL8853422

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.33
AKR1C3 P42330 1/20 0.33
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
FFAR3 O14843 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30

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
SCHEMBL9055342 1.00 PTGS1 (0.33) PTGS1AKR1C3ALDH1A1TSHRFFAR3
SCHEMBL11345716 0.77
SCHEMBL11345712 0.77
SCHEMBL6726270 0.76 ALDH1A1 (0.38) PTGS1AKR1C3ALDH1A1TSHRFFAR3
SCHEMBL1074949 0.76 ALDH1A1 (0.38) PTGS1AKR1C3ALDH1A1TSHRFFAR3
SCHEMBL27166 0.72 GRIK1 (0.39) PTGS1AKR1C3ALDH1A1TSHRFFAR3
SCHEMBL22811 0.72 GRIK1 (0.39) PTGS1AKR1C3ALDH1A1TSHRFFAR3
SCHEMBL6571066 0.72 PTGS1 (0.36) PTGS1AKR1C3ALDH1A1TSHRFFAR3
SCHEMBL6571057 0.72 PTGS1 (0.36) PTGS1AKR1C3ALDH1A1TSHRFFAR3
SCHEMBL11102354 0.72 CD81 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0507561-B1 Thermoplastic resin compositions NOF CORP (JP) 1996-06-26 EP claimed
US-5674930-A MOLDING MATERIAL COMPRISING A BLEND OF A PROPYLENE BASED POLYMER AND A GRAFT ADDITION COPOLYMER; IMPACT STRENGTH, COATABILITY; BUMPER OF AUTOMOBILE NOF CORPORATION (JP) 1997-10-07 US disclosed