SCHEMBL8947144

SCHEMBL8947144

CCCCc1ccc(-c2ccc(CCC(=O)O)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.69
FFAR1 O14842 3/20 0.67
ALDH1A1 P00352 3/20 0.65
HPGD P15428 1/20 0.65
HSD17B10 Q99714 1/20 0.65
MEN1 O00255 1/20 0.60
RARA P10276 1/20 0.60
MAPT P10636 1/20 0.60
MTOR P42345 1/20 0.60
KMT2A Q03164 1/20 0.60
RXRA P19793 1/20 0.57
RXRB P28702 1/20 0.57
RXRG P48443 1/20 0.57
LMNA P02545 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
FFAR4 Q5NUL3 1/20 0.55
KEAP1 Q14145 1/20 0.53
S1PR1 P21453 3/20 0.53
S1PR3 Q99500 3/20 0.53
S1PR2 O95136 2/20 0.53

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
SCHEMBL7338308 0.95 RARB (0.70) RARBFFAR1ALDH1A1HPGDHSD17B10
SCHEMBL1206307 0.94 ALDH1A1 (0.71) RARBFFAR1ALDH1A1HPGDHSD17B10
SCHEMBL31270921 0.93 RARB (0.71) RARBFFAR1ALDH1A1HPGDHSD17B10
SCHEMBL7338362 0.93 RARB (0.71) RARBFFAR1ALDH1A1HPGDHSD17B10
SCHEMBL6285855 0.89 ALDH1A1 (0.72) RARBFFAR1ALDH1A1HPGDHSD17B10
SCHEMBL2185924 0.87 RARB (0.70) RARBALDH1A1HPGDHSD17B10MEN1
SCHEMBL6288014 0.87 ALDH1A1 (0.70) RARBFFAR1ALDH1A1HPGDHSD17B10
SCHEMBL10435207 0.87 ALDH1A1 (0.70) RARBFFAR1ALDH1A1HPGDHSD17B10
SCHEMBL20854085 0.87 ALDH1A1 (0.70) RARBFFAR1ALDH1A1HPGDHSD17B10
SCHEMBL6286434 0.87 ALDH1A1 (0.70) RARBFFAR1ALDH1A1HPGDHSD17B10

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
US-5567841-A ANTICHOLESTEROL AGENT BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-22 US disclosed
US-5470845-A Methods of using α-phosphonosulfonate squalene synthetase inhibitors including the treatment of atherosclerosis and hypercholesterolemia BRISTOL-MYERS SQUIBB COMPANY (US) 1995-11-28 US disclosed