SCHEMBL9242000

SCHEMBL9242000

CC(C)CC(=O)c1ccccc1OCC(O)CSc1nc2cc3ccccc3cc2o1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 9/20 0.40
MGAM O43451 3/20 0.38
GAA P10253 3/20 0.38
SI P14410 3/20 0.38
MGAM2 Q2M2H8 3/20 0.38
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37

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
SCHEMBL9692380 0.89 ALDH1A1 (0.41) ABCB1MGAMGAASIMGAM2
SCHEMBL9241996 0.87 RAB9A (0.39) ABCB1MGAMGAASIMGAM2
SCHEMBL9123644 0.79 LMNA (0.49) ABCB1GAA
SCHEMBL9692370 0.79 ADRB2 (0.41) MGAMGAASIMGAM2
SCHEMBL9124271 0.78 RAB9A (0.47) GAAPPARGNCOA2NCOA1NCOA3
SCHEMBL9124632 0.75 TSHR (0.58) ABCB1
SCHEMBL9692121 0.75 RAB9A (0.57) GAA
SCHEMBL9125197 0.74 GRM2 (0.49) ABCB1
SCHEMBL9124267 0.69 MAPT (0.50) GAA
SCHEMBL9690647 0.69 LMNA (0.48) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5470858-A Anticholesterol agents PIERREL SPA (IT) 1995-11-28 US disclosed