SCHEMBL2226385

SCHEMBL2226385

Cc1ccc(C(C(C(=O)O)C(=O)O)C(C(=O)O)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 3/20 0.43
ACHE P22303 1/20 0.41
ALOX5 P09917 1/20 0.41
POLB P06746 1/20 0.41
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
SRD5A2 P31213 1/20 0.40
KEAP1 Q14145 4/20 0.40
NFE2L2 Q16236 4/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
FFAR1 O14842 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
CHRNA7 P36544 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
SCHEMBL8999064 0.90 HDAC1 (0.43) ALDH1A1SMN1; SMN2LMNAACHEALOX5
SCHEMBL10908398 0.84 BRD4 (0.47) ALDH1A1SMN1; SMN2LMNAACHEALOX5
SCHEMBL6831065 0.78 LMNA (0.44) ALDH1A1SMN1; SMN2LMNAACHEALOX5
SCHEMBL1452589 0.78 SRC (0.56) LMNACES2CES1
SCHEMBL12488780 0.77 LDHA (0.52) ALDH1A1CES2CES1AKR1C3AKR1C2
SCHEMBL1502454 0.76 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAACHEALOX5
SCHEMBL1821047 0.76 SRC (0.61) ALDH1A1SMN1; SMN2LMNAACHEALOX5
SCHEMBL245405 0.74 LMNA (0.62) ALDH1A1SMN1; SMN2LMNAACHEALOX5
SCHEMBL21268958 0.74 SRC (0.58) ALDH1A1SMN1; SMN2LMNAACHEALOX5
SCHEMBL245404 0.74 LMNA (0.62) ALDH1A1SMN1; SMN2LMNAACHEALOX5

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
WO-2011085445-A1 FLOTATION REAGENTS TEEBEE HOLDINGS PTY LTD (AU) 2011-07-21 WO claimed
WO-2011085445-A1 FLOTATION REAGENTS TEEBEE HOLDINGS PTY LTD (AU) 2011-07-21 WO disclosed