SCHEMBL8535216

SCHEMBL8535216

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53
CTNNB1 P35222 3/20 0.43
WNT3A P56704 3/20 0.43
HPGD P15428 3/20 0.42
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPR52 Q9Y2T5 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
SCHEMBL8536465 0.82 ERCC5 (0.42) ERCC5FEN1CTNNB1WNT3AKMT2A
SCHEMBL28037656 0.81 HPGD (0.43) HPGDKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL7799519 0.79 KDM4E (0.58) ERCC5FEN1CTNNB1WNT3A
SCHEMBL7791486 0.79 KDM4E (0.58) ERCC5FEN1CTNNB1WNT3A
SCHEMBL7799518 0.79 KDM4E (0.58) ERCC5FEN1CTNNB1WNT3A
SCHEMBL10645702 0.78 TSHR (0.62) HPGDKMT2ASMN1; SMN2TSHRMAPK1
SCHEMBL13647199 0.78 ERCC5 (0.55) ERCC5FEN1CTNNB1WNT3AHPGD
Hydrochloric Acid SCHEMBL27449428 0.78 KDM4E (0.56) ERCC5FEN1CTNNB1WNT3A
Hydrochloric Acid SCHEMBL27449427 0.78 KDM4E (0.56) ERCC5FEN1CTNNB1WNT3A
SCHEMBL4313955 0.78 ERCC5 (0.51) ERCC5FEN1CTNNB1WNT3AHPGD

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
EP-0885869-A1 THERAPEUTIC AGENT FOR DIABETES Japan Tobacco Inc. (JP) 1998-12-23 EP disclosed