SCHEMBL363022

SCHEMBL363022

CC(Nc1ccccc1)(C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
MAPT P10636 4/20 0.44
KMT2A Q03164 2/20 0.44
KCNN4 O15554 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP1A2 P05177 3/20 0.42
NAPRT Q6XQN6 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PDK1 Q15118 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
SCHEMBL9290177 0.89 NPC1 (0.46) MAPTKMT2ATP53SMN1; SMN2KCNK9
SCHEMBL839896 0.88 RAB9A (0.50) MAPTKMT2APDK1PDK2PDK3
SCHEMBL6642017 0.85 MAPT (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11245803 0.83 PDK1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11669642 0.81 PTGS1 (0.43) TSHRALOX5RAB9A
SCHEMBL11853935 0.80 CYP2C19 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11756838 0.80 ALDH1A1 (0.40) KMT2ACYP2C19CYP1A2HSD17B10TSHR
SCHEMBL11480581 0.79 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8922875 0.79 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29793498 0.78 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2

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-2012008916-A1 FLAME RETARDANT AND INTUMESCENT COMPOUND AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-01-19 WO disclosed