SCHEMBL8599852

SCHEMBL8599852

CCCC(=O)c1ccc(Cl)cc1C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.49
▸ ALDH1A1 P00352 7/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ RECQL P46063 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ KDM4E B2RXH2 6/20 0.41
▸ NR1H4 Q96RI1 2/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ MEN1 O00255 2/20 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
SCHEMBL25950783 0.81 TSHR (0.43) TSHRALDH1A1TDP1RECQLALOX15
SCHEMBL2125979 0.80 ALDH1A1 (0.65) TSHRALDH1A1TDP1RECQLALOX15
SCHEMBL14994077 0.79 SMN1; SMN2 (0.59) TSHRALDH1A1HSD17B10MAPK1GAA
SCHEMBL7965902 0.78 ALDH1A1 (0.59) TSHRALDH1A1TDP1RECQLALOX15
SCHEMBL11230620 0.78 TSHR (0.52) TSHRALDH1A1TDP1RECQLALOX15
SCHEMBL10256214 0.78 NR1H4 (0.49) TSHRALDH1A1HSD17B10MAPK1HIF1A
SCHEMBL7447640 0.77 ABL1 (0.56) TSHRALDH1A1TDP1RECQLALOX15
SCHEMBL6744997 0.77 TSHR (0.51) TSHRALDH1A1TDP1RECQLALOX15
SCHEMBL5570026 0.76 ERCC5 (0.57) TSHRALDH1A1TDP1RECQLALOX15
SCHEMBL28318361 0.76 KDM4E (0.50) TSHRALDH1A1HPGDHSD17B10MAPK1

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-1998005961-A1 COMPOUNDS HAVING A PLURALITY OF NITROGENOUS SUBSTITUENTS ISIS PHARMACEUTICALS, INC. (US) 1998-02-12 — — WO disclosed
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