SCHEMBL4333889

SCHEMBL4333889

CC(C)N(C(=O)O)c1ccccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
ALOX15 P16050 1/20 0.46
MAPT P10636 4/20 0.44
HDAC8 Q9BY41 1/20 0.44
AKR1C3 P42330 1/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 2/20 0.42
KDM4E B2RXH2 4/20 0.42
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 2/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41

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
SCHEMBL14150723 0.82 ALDH1A1 (0.52) ALDH1A1ALOX15MAPTHDAC8AKR1C3
SCHEMBL4096876 0.79 ALDH1A1 (0.48) ALDH1A1ALOX15MAPTHDAC8LMNA
SCHEMBL8779567 0.79 KMT2A (0.49) ALDH1A1SMN1; SMN2POLBHPGDCA12
SCHEMBL829847 0.78 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2TP53POLB
SCHEMBL4245598 0.76 ALDH1A1 (0.45) ALDH1A1ALOX15MAPTHDAC8LMNA
SCHEMBL11517103 0.75 SIGMAR1 (0.47) ALDH1A1MAPTLMNASMN1; SMN2TP53
SCHEMBL8614764 0.75 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2TP53KDM4E
SCHEMBL1046327 0.75 ALDH1A1 (0.52) ALDH1A1ALOX15MAPTHDAC8LMNA
SCHEMBL27823469 0.74 ALDH1A1 (0.60) ALDH1A1ALOX15MAPTHDAC8LMNA
SCHEMBL2543696 0.74 ALDH1A1 (0.63) ALDH1A1LMNASMN1; SMN2TP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009147221-A1 SMALL MOLECULE LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO disclosed