SCHEMBL9813448

SCHEMBL9813448

CC(C)(C)c1ccc(S(=O)(=O)CCCc2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.50
ALDH1A1 P00352 5/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
EPHX2 P34913 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
SLC13A5 Q86YT5 2/20 0.48
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
RECQL P46063 1/20 0.45
KCNH2 Q12809 1/20 0.44
EGLN1 Q9GZT9 1/20 0.43

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
Acetic Acid SCHEMBL10578543 0.84 HDAC1 (0.53) ALDH1A1HDAC1HDAC8LMNAHTT
SCHEMBL9813465 0.84 ALDH1A1 (0.48) ALDH1A1HDAC1HDAC8LMNAHTT
SCHEMBL9813753 0.82 HDAC1 (0.64) ALDH1A1HPGDHSD17B10HDAC1HDAC8
SCHEMBL3250400 0.81 TBXA2R (0.62) ALDH1A1HPGDHSD17B10HDAC1HDAC8
SCHEMBL9813436 0.81 HTT (0.62) ALDH1A1HPGDHSD17B10HTTCA1
SCHEMBL10578550 0.80 MAPT (0.48) ALDH1A1EPHX2HDAC1HDAC8LMNA
SCHEMBL10581711 0.80 ALDH1A1 (0.57) ALDH1A1HPGDHSD17B10HDAC1HDAC8
SCHEMBL840854 0.80 NR1H4 (0.70) NR1H4ALDH1A1HPGDHSD17B10EPHX2
SCHEMBL23193744 0.79 ALDH1A1 (0.64) ALDH1A1HPGDHSD17B10HTTCA2
Methane SCHEMBL17237476 0.78 NR1H4 (0.68) NR1H4ALDH1A1EPHX2SLC13A5RXRA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0297768-B1 ARYLTHIOALKYLPHENYL CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING SAME AND METHOD OF USE E.R. Squibb & Sons, Inc. (US) 1991-07-24 EP claimed
EP-0297768-A1 Arylthioalkylphenyl carboxylic acids, compositions containing same and method of use E.R. Squibb & Sons, Inc. (US) 1989-01-04 EP claimed
US-4752616-A Arylthioalkylphenyl carboxylic acids, compositions containing same and method of use E. R. SQUIBB & SONS, INC. (US) 1988-06-21 US claimed
EP-0297768-B1 ARYLTHIOALKYLPHENYL CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING SAME AND METHOD OF USE E.R. Squibb & Sons, Inc. (US) 1991-07-24 EP disclosed
EP-0297768-A1 Arylthioalkylphenyl carboxylic acids, compositions containing same and method of use E.R. Squibb & Sons, Inc. (US) 1989-01-04 EP disclosed
US-4752616-A Arylthioalkylphenyl carboxylic acids, compositions containing same and method of use E. R. SQUIBB & SONS, INC. (US) 1988-06-21 US disclosed