SCHEMBL10429623

SCHEMBL10429623

Cc1cc(C(C)C(=O)O)n(C)n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
APAF1 O14727 3/20 0.45
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 3/20 0.38
BAZ2B Q9UIF8 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL4360395 0.82 SMN1; SMN2 (0.44) LMNAAPAF1POLBSMN1; SMN2KDM4E
SCHEMBL8145390 0.79 CHRM1 (0.36) LMNAAPAF1POLBKDM4EBAZ2B
SCHEMBL25183809 0.79 LMNA (0.41) LMNAAPAF1POLBSMN1; SMN2KDM4E
SCHEMBL23240257 0.78 SMN1; SMN2 (0.39) LMNAAPAF1POLBSMN1; SMN2KDM4E
SCHEMBL678753 0.77 SMN1; SMN2 (0.37) LMNAAPAF1POLBSMN1; SMN2KDM4E
SCHEMBL27718196 0.75 HSD17B10 (0.43) LMNAAPAF1POLBSMN1; SMN2KDM4E
SCHEMBL24248353 0.72 PDE2A (0.36) LMNAAPAF1POLBSMN1; SMN2KDM4E
SCHEMBL15686686 0.71 MEN1 (0.42) LMNASMN1; SMN2MEN1KMT2AGAA
SCHEMBL31057128 0.71 MAPT (0.49) KDM4EALDH1A1
SCHEMBL286931 0.69 KDM4E (0.58) LMNAAPAF1POLBSMN1; SMN2KDM4E

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
JP-2292263-A None JP disclosed
JP-H02292263-A PRODUCTION OF 1-METHYL-3-ALKYL-5-PYRAZOLE CARBOXYLATE MITSUBISHI KASEI CORP 1990-12-03 JP disclosed