SCHEMBL29634736

SCHEMBL29634736

Cc1ccccc1C(=O)CCCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.58
FEN1 P39748 1/20 0.58
CTNNB1 P35222 6/20 0.54
WNT3A P56704 6/20 0.54
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ADRA1A P35348 2/20 0.48
CHRM1 P11229 2/20 0.48
CHRM2 P08172 1/20 0.48

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
SCHEMBL7914414 1.00 ERCC5 (0.58) ERCC5FEN1CTNNB1WNT3AHDAC3
SCHEMBL29541385 0.90 KMT2A (0.62) ERCC5FEN1CTNNB1WNT3AMEN1
SCHEMBL828846 0.90 KMT2A (0.62) ERCC5FEN1CTNNB1WNT3AMEN1
SCHEMBL30089517 0.86 CTNNB1 (0.68) ERCC5FEN1CTNNB1WNT3AMEN1
SCHEMBL15979740 0.86 CTNNB1 (0.68) ERCC5FEN1CTNNB1WNT3AMEN1
SCHEMBL4936709 0.85 CHRM1 (0.58) ERCC5FEN1CTNNB1WNT3AMEN1
SCHEMBL28450341 0.84 MAOA (0.47) ERCC5FEN1CTNNB1WNT3AHDAC3
SCHEMBL8525198 0.83 CHRM1 (0.57) ERCC5FEN1CTNNB1WNT3AMEN1
SCHEMBL11709541 0.83 CTNNB1 (0.57) ERCC5FEN1CTNNB1WNT3AMEN1
SCHEMBL10937745 0.81 CHRM1 (0.56) ERCC5FEN1CTNNB1WNT3AMEN1

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
CN-111807952-B Novel compound participating in lipid metabolism and preparation method thereof 中国医学科学院医药生物技术研究所 2022-06-03 CN disclosed