SCHEMBL6846916

SCHEMBL6846916

Cc1cc2c(C)c(C(=O)O)c(C)cc2c(C)c1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 5/20 0.61
LDHB P07195 5/20 0.61
CYP3A4 P08684 4/20 0.50
ACHE P22303 1/20 0.50
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 3/20 0.42
ALB P02768 2/20 0.42
NOTUM Q6P988 1/20 0.41
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 2/20 0.39
GFER P55789 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 2/20 0.39
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL8106142 0.84 CYP3A4 (0.54) LDHALDHBCYP3A4ACHEALDH1A1
Hydrochloric Acid SCHEMBL5042476 0.82 CYP3A4 (0.52) LDHALDHBCYP3A4ACHEALDH1A1
Hydrochloric Acid SCHEMBL5037307 0.82 CYP3A4 (0.52) LDHALDHBCYP3A4ACHEALDH1A1
SCHEMBL10706989 0.80 LDHA (0.67) LDHALDHBCYP3A4ACHEALDH1A1
SCHEMBL1257863 0.80 CYP3A4 (0.50) LDHALDHBCYP3A4ACHEALDH1A1
SCHEMBL1225496 0.79 NR4A1 (0.47) LDHALDHBCYP3A4ALDH1A1KMT2A
SCHEMBL32665463 0.78 LDHA (0.48) LDHALDHBCYP3A4ACHEALDH1A1
SCHEMBL29115233 0.78 LDHA (0.48) LDHALDHBCYP3A4ACHEALDH1A1
SCHEMBL9815280 0.78 CYP3A4 (0.48) LDHALDHBCYP3A4ACHEALDH1A1
SCHEMBL7812363 0.78 CYP1A2 (0.60) LDHALDHBALDH1A1MAPK1SMN1; SMN2

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
US-20040116619-A1 Polyester resins with improved properties POLYMERS AUSTRALIA PTY LIMITED (AU) 2004-06-17 US disclosed
CN-1474842-A Polyester resins with improved properties �Ĵ����Ǿۺ���ع����޹�˾ 2004-02-11 CN disclosed