SCHEMBL9750729

SCHEMBL9750729

CC(C)c1c(C(=O)O)c(-c2ccc(F)cc2)cn1C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.58
DHODH Q02127 1/20 0.39
TGFBR1 P36897 1/20 0.38
APP P05067 1/20 0.37
KMT2A Q03164 1/20 0.37
FAAH O00519 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
ABHD12 Q8N2K0 1/20 0.37
TACR1 P25103 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
GLA P06280 1/20 0.36
POLB P06746 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
SCHEMBL9750938 0.86 HMGCR (0.51) HMGCRKMT2AFAAHCNR1CNR2
SCHEMBL9750803 0.82 HMGCR (0.49) HMGCRTGFBR1HSP90AA1HSP90AB1GLA
SCHEMBL9521499 0.81 HMGCR (0.62) HMGCRGLAPOLB
SCHEMBL9518373 0.80 HMGCR (0.58) HMGCRGLAPOLB
SCHEMBL9518298 0.76 HMGCR (0.59) HMGCRGLAPOLB
SCHEMBL9518290 0.76 HMGCR (0.59) HMGCRGLAPOLB
SCHEMBL9751010 0.76 HMGCR (0.49) HMGCRTGFBR1KMT2A
SCHEMBL10455380 0.75 HMGCR (0.45) HMGCR
SCHEMBL9750923 0.74 HMGCR (1.00) HMGCR
SCHEMBL9518598 0.73 HMGCR (0.56) HMGCRTGFBR1

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