SCHEMBL4379296

SCHEMBL4379296

CC(=O)n1cccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NOTUM Q6P988 4/20 0.42
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MCL1 Q07820 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL5004908 0.84 NOTUM (0.44) POLBAPEX1TDP1L3MBTL1NOTUM
SCHEMBL14398922 0.83 POLB (0.41) POLBAPEX1TDP1L3MBTL1NOTUM
SCHEMBL4334753 0.82 TDP1 (0.46) POLBAPEX1TDP1L3MBTL1HDAC4
SCHEMBL30034979 0.81 NOTUM (0.41) POLBAPEX1TDP1L3MBTL1NOTUM
SCHEMBL4904690 0.78 TDP1 (0.43) POLBAPEX1TDP1L3MBTL1HDAC4
SCHEMBL4905375 0.78 POLB (0.40) POLBAPEX1TDP1L3MBTL1HDAC4
SCHEMBL4913277 0.78 POLB (0.40) POLBAPEX1TDP1L3MBTL1HDAC4
SCHEMBL19500072 0.78 KDM4E (0.41) POLBTDP1L3MBTL1NOTUMALDH1A1
SCHEMBL26119733 0.75 LPO (0.45) POLBAPEX1TDP1L3MBTL1ALDH1A1
SCHEMBL6794236 0.74 L3MBTL1 (0.40) POLBAPEX1TDP1L3MBTL1HDAC4

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
CN-109563094-B (hetero) aryl-substituted piperidinyl derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2022-03-18 CN disclosed
WO-2009125191-A1 BENZENE DERIVATIVES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2009-10-15 WO disclosed