SCHEMBL9434643

SCHEMBL9434643

CC(C)(SC(=O)Cc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
CES1 P23141 2/20 0.47
CES2 O00748 1/20 0.47
AKR1B1 P15121 1/20 0.47
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
POLB P06746 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40

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
SCHEMBL11388728 0.86 L3MBTL1 (0.49) PAML3MBTL1TDP1CES1CES2
SCHEMBL18113275 0.80 ALDH1A1 (0.50) PAML3MBTL1TDP1CES1CES2
SCHEMBL28008475 0.80 PAM (0.49) PAML3MBTL1TDP1CES1CES2
SCHEMBL27591994 0.75 GRIN2B (0.45) EPHX2
SCHEMBL7324963 0.74 PAM (0.59) PAML3MBTL1TDP1CES1CES2
SCHEMBL200592 0.73 PAM (0.63) PAML3MBTL1TDP1CES1CES2
SCHEMBL15574257 0.73 PAM (0.63) PAML3MBTL1TDP1CES1CES2
SCHEMBL9068773 0.73 CYP1A2 (0.53) CES1CES2AKR1B1SMN1; SMN2HIF1A
SCHEMBL14695154 0.71 HDAC3 (0.51) L3MBTL1TDP1CES1MEN1KMT2A
SCHEMBL27546894 0.71 PAM (0.61) PAML3MBTL1TDP1CES1CES2

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
JP-6336473-A None JP disclosed
JP-H06336473-A PRODUCTION OF CARBOXYLIC ACID MITSUBISHI RAYON CO LTD 1994-12-06 JP disclosed