SCHEMBL8879006

SCHEMBL8879006

CCC(CC(C(=O)O)C(=O)O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 3/20 0.49
SLC1A3 P43003 2/20 0.49
SLC1A2 P43004 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 2/20 0.49
MEN1 O00255 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 3/20 0.44
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
ACE P12821 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PSMB5 P28074 1/20 0.39

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
SCHEMBL27939098 0.83 SLC1A1 (0.51) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL9915100 0.82 TSHR (0.48) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL18605825 0.81 TRPA1 (0.43) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL19519690 0.81 TRPA1 (0.43) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL12136516 0.81 SLC1A3 (0.46) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL28790050 0.81 SLC1A3 (0.46) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL16062891 0.81 PSMB5 (0.42) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL15338057 0.80 ALDH1A1 (0.49) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL18554441 0.79 TSHR (0.39) SLC1A1SLC1A3SLC1A2KMT2ACYP1A2
SCHEMBL11019271 0.79 PPARG (0.51) PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5677432-A FORMING IMMUNOCONJUGATES FOR DETECTION OF ORGANOPHOSPHATE PESTICIDES THE HORTICULTURE AND FOOD RESEARCH INSTITUTE OF NEW ZEALAND LIMITED (NZ) 1997-10-14 US disclosed
EP-0629206-A1 IMMUNOLOGICAL DETECTION OF ORGANOPHOSPHATES THE HORTICULTURE AND FOOD RESEARCH INSTITUTE OF NEW ZEALAND LIMITED (NZ) 1994-12-21 EP disclosed
WO-1993017030-A1 IMMUNOLOGICAL DETECTION OF ORGANOPHOSPHATES THE HORTICULTURE AND FOOD RESEARCH INSTITUTE OF NEW ZEALAND LIMITED (NZ) 1993-09-02 WO disclosed