SCHEMBL9750852

SCHEMBL9750852

CC(C)c1c(C(=O)O)c(-c2ccc(F)cc2)cn1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 5/20 0.53
ABCB1 P08183 1/20 0.49
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.41
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39

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
SCHEMBL9750841 0.87 HMGCR (0.48) HMGCRABCB1KDM4EALDH1A1MEN1
SCHEMBL10506117 0.83 ABCB1 (0.65) HMGCRABCB1KDM4EALDH1A1LMNA
SCHEMBL9272851 0.82 HMGCR (0.46) HMGCRABCB1TP53GAARAB9A
SCHEMBL9518442 0.81 HMGCR (0.51) HMGCRABCB1KDM4EALDH1A1TDP1
SCHEMBL9750837 0.80 HMGCR (0.58) HMGCRABCB1KDM4EALDH1A1TDP1
SCHEMBL9751010 0.79 HMGCR (0.49) HMGCRABCB1KDM4EALDH1A1TDP1
SCHEMBL8846389 0.77 HMGCR (0.55) HMGCRABCB1KDM4EALDH1A1TDP1
SCHEMBL9441634 0.76 MEN1 (0.56) KDM4EALDH1A1TDP1L3MBTL1MEN1
SCHEMBL9518353 0.76 HMGCR (0.59) HMGCRABCB1KDM4EALDH1A1TDP1
SCHEMBL9750818 0.76 HMGCR (0.59) HMGCRABCB1KDM4EALDH1A1TDP1

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