SCHEMBL9751010

SCHEMBL9751010

CC(C)c1c(C(=O)O)c(-c2ccc(F)cc2)cn1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 0.49
ABCB1 P08183 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
BCL2L1 Q07817 1/20 0.39
BAD Q92934 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
TGFBR1 P36897 1/20 0.37
TGFBR2 P37173 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL9750967 0.84 HMGCR (0.47) HMGCRABCB1KMT2AMEN1NPC1
SCHEMBL9750874 0.80 HMGCR (0.41) HMGCRABCB1ADORA2AADORA1TGFBR1
SCHEMBL9750852 0.79 HMGCR (0.53) HMGCRABCB1KMT2AMEN1RAB9A
SCHEMBL9764350 0.78 KDM4E (0.43) HMGCRKMT2AMEN1KDM4EALDH1A1
SCHEMBL9518177 0.78 HMGCR (0.47) HMGCR
SCHEMBL6493537 0.78 HMGCR (0.45) HMGCRBCL2L1BADADORA2AADORA1
SCHEMBL9751046 0.77 HMGCR (0.55) HMGCRADORA2AADORA1ALDH1A1
SCHEMBL9750729 0.76 HMGCR (0.58) HMGCRKMT2ATGFBR1
SCHEMBL22188201 0.75 KDM4E (0.42) HMGCRBCL2L1BADADORA2AADORA1
SCHEMBL10510636 0.74 HMGCR (0.40) HMGCRABCB1KMT2AMEN1BCL2L1

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-5055484-A Anticholesterol and antilipemic agent HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-08 US disclosed