SCHEMBL7779226

SCHEMBL7779226

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.44
LDHB P07195 1/20 0.44
HTT P42858 2/20 0.38
KDM4E B2RXH2 3/20 0.35
TSHR P16473 3/20 0.35
ACHE P22303 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 2/20 0.32
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
TP53 P04637 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
EGLN3 Q9H6Z9 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
SCHEMBL27902931 1.00 LDHA (0.44) LDHALDHBHTTKDM4ETSHR
SCHEMBL28241282 0.88 LDHA (0.41) LDHALDHBKDM4ETSHRACHE
SCHEMBL11029233 0.82 LDHA (0.44) LDHALDHBTSHRACHEALDH1A1
SCHEMBL11532314 0.82 LDHA (0.44) LDHALDHBTSHRACHEALDH1A1
SCHEMBL11029237 0.82 LDHA (0.44) LDHALDHBTSHRACHEALDH1A1
SCHEMBL269971 0.81 TSHR (0.41) HTTKDM4ETSHRKMT2APOLB
SCHEMBL17138384 0.81 TSHR (0.41) HTTKDM4ETSHRKMT2APOLB
SCHEMBL8846164 0.78 TSHR (0.39) HTTKDM4ETSHRKMT2APOLB
SCHEMBL8013 0.73 TSHR (0.36) HTTKDM4ETSHRKMT2ATP53
SCHEMBL21102071 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948311-B1 ANTIPERSPIRANT GEL-SOLID STICK COMPOSITIONS PROCTER & GAMBLE (US) 2001-08-22 EP disclosed
WO-1999063962-A1 ANTIPERSPIRANT COMPOSITIONS CONTAINING SELECT COUPLING AGENTS THE PROCTER & GAMBLE COMPANY (US) 1999-12-16 WO disclosed
EP-0949895-A2 ANTIPERSPIRANT GEL-SOLID STICK COMPOSITIONS CONTAINING SELECT NUCLEATING AGENTS THE PROCTER & GAMBLE COMPANY (US) 1999-10-20 EP disclosed
EP-0948311-A1 ANTIPERSPIRANT GEL-SOLID STICK COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-10-13 EP disclosed
US-5958386-A COMPRISING COMBINATION OF HEXYLENE GLYCOL AND HYDROCARBON OIL COUPLING AGENT AND GELLENTS SELECTED GROM GROUP OF FATTY ACIDS, FATTY ACID ESTERS, FATTY ACID AMIDES, N-ACYL AMINO ACID DERIVATIVES AND VOLATILE LIQUID CARRIER THE PROCTER & GAMBLE COMPANY (US) 1999-09-28 US disclosed
US-5849276-A Antiperspirant gel-solid stick compositions containing select nucleating agents PROCTER & GAMBLE (US) 1998-12-15 US disclosed
US-5846520-A Antiperspirant gel-solid stick compositions containing select fatty acid gellants PROCTER & GAMBLE COMPANY (US) 1998-12-08 US disclosed
WO-1998027949-A1 ANTIPERSPIRANT GEL-SOLID STICK COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-07-02 WO disclosed
WO-1998027939-A2 ANTIPERSPIRANT GEL-SOLID STICK COMPOSITIONS CONTAINING SELECT NUCLEATING AGENTS THE PROCTER & GAMBLE COMPANY (US) 1998-07-02 WO disclosed