SCHEMBL10420172

SCHEMBL10420172

CC(C)C(CC(=O)c1ccccc1)C(=O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 6/20 0.50
MAPT P10636 4/20 0.50
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 3/20 0.50
HPGD P15428 2/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.47
NPC1 O15118 2/20 0.47
MAPK1 P28482 2/20 0.45
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
CES1 P23141 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
PTPN1 P18031 2/20 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
SCHEMBL6502449 0.85 TSHR (0.60) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL10509321 0.85 TSHR (0.55) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL7188801 0.85 TSHR (0.60) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL26794544 0.82 TSHR (0.52) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL9121702 0.77 TSHR (0.59) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL2026026 0.77 TSHR (0.63) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL9799560 0.77 TSHR (0.63) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL5194137 0.76 TSHR (0.57) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL9019003 0.76 TSHR (0.62) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL2026600 0.75 TSHR (0.61) TSHRL3MBTL1MAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4973704-A ANTICHOLESTEROL AGENTS SANDOZ PHARM. CORP. (US) 1990-11-27 US disclosed
US-4851427-A INHJIBITORS OF CHOLESTEROL BIOSYNTHESIS SANDOZ PHARM. CORP. (US) 1989-07-25 US disclosed
WO-1987002662-A2 HETEROCYCLIC ANALOGS OF MEVALONOLACTONE AND DERIVATIVES THEREOF, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS SANDOZ AG (CH) 1987-05-07 WO disclosed
EP-0221025-A1 Heterocyclic analogs of mevalonolactone and derivatives thereof, processes for their production and their use as pharmaceuticals SANDOZ AG (CH) 1987-05-06 EP disclosed