SCHEMBL9813446

SCHEMBL9813446

O=C(O)Cc1ccc(CCCSc2ccc(Cl)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 4/20 0.48
TBXA2R P21731 1/20 0.48
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
TDP1 Q9NUW8 3/20 0.47
TEAD1 P28347 1/20 0.44
YAP1 P46937 1/20 0.44
TEAD4 Q15561 1/20 0.44

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
SCHEMBL9813847 0.85 HDAC3 (0.56) ALDH1A1KDM4EHDAC3HDAC4HDAC1
SCHEMBL9813466 0.83 MAPT (0.61) ALDH1A1HSD17B10KDM4ETBXA2RHDAC3
SCHEMBL9813454 0.82 HPGD (0.53) ALDH1A1HPGDHSD17B10TBXA2RHDAC3
SCHEMBL9813458 0.81 KDM4E (0.52) ALDH1A1HPGDHSD17B10KDM4ELMNA
SCHEMBL9815836 0.81 HRH3 (0.53) ALDH1A1HPGDHSD17B10KDM4EHDAC3
SCHEMBL9813801 0.80 MAOA (0.50) ALDH1A1KDM4EHDAC3HDAC4HDAC1
SCHEMBL11565077 0.79 CYP26A1 (0.51) ALDH1A1HPGDHSD17B10TBXA2RTDP1
SCHEMBL75665 0.78 CA2 (0.62) ALDH1A1HPGDHSD17B10TBXA2RTDP1
SCHEMBL9813805 0.77 ALDH1A1 (0.51) ALDH1A1HPGDHSD17B10KDM4ELMNA
SCHEMBL414617 0.77 ALDH1A1 (0.70) ALDH1A1HPGDKDM4EHDAC3HDAC4

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