SCHEMBL29286704

SCHEMBL29286704

Cc1ccc(C)c(-n2cccc2C(=O)C=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.39
HSD17B10 Q99714 3/20 0.38
TSHR P16473 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HCAR1 Q9BXC0 1/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RECQL P46063 1/20 0.35
GAA P10253 2/20 0.34
MPI P34949 2/20 0.34
PHOSPHO1 Q8TCT1 2/20 0.34

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
SCHEMBL29006051 0.79 ALDH1A1 (0.42) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL28050621 0.78 RECQL (0.54) MAPTALDH1A1LMNATSHRMEN1
SCHEMBL4658534 0.74 POLB (0.53) MAPTALDH1A1LMNAHSD17B10TSHR
SCHEMBL27986571 0.72 TDP1 (0.46) MAPTALDH1A1LMNAHSD17B10MEN1
SCHEMBL4313192 0.71 ALDH1A1 (0.42) MAPTALDH1A1LMNAHSD17B10MEN1
SCHEMBL27483362 0.69 ATM (0.52) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL28662329 0.69 POLB (0.39) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL4543897 0.69 POLB (0.50) MAPTALDH1A1LMNAHSD17B10MEN1
SCHEMBL27650692 0.69 POLB (0.43) ALDH1A1HSD17B10TSHRKMT2APOLB
SCHEMBL17059031 0.68 HSD17B10 (0.49) MAPTALDH1A1LMNAHSD17B10TSHR

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-109070133-A Ionic-liquid catalyst in sulfur-containing polymer composition PRC-迪索托国际公司 2018-12-21 CN disclosed