SCHEMBL9799371

SCHEMBL9799371

C=C(C=CC(O)CC(=O)CC(=O)Oc1ccc(F)cc1)c1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CRHBP P24387 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30
CRHR2 Q13324 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HMGCR P04035 1/20 0.30
LTA4H P09960 1/20 0.30

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
SCHEMBL9799727 0.88 HMGCR (0.37) HMGCR
SCHEMBL10609466 0.82 HMGCR (0.34) SMN1; SMN2HMGCRLTA4H
SCHEMBL9799374 0.80 HMGCR (0.31) HMGCR
SCHEMBL9726588 0.78 HMGCR (0.40) HMGCR
SCHEMBL9799735 0.78 HMGCR (0.32) HMGCR
SCHEMBL9726888 0.78 HMGCR (0.42) HMGCR
SCHEMBL10610212 0.77 LTA4H (0.33) ALDH1A1HSD17B10LTA4H
SCHEMBL10609349 0.74 HMGCR (0.48) SMN1; SMN2KMT2AALDH1A1HSD17B10HMGCR
SCHEMBL10609448 0.74 KCNN4 (0.33) SMN1; SMN2KMT2AALDH1A1HSD17B10MEN1
SCHEMBL10610197 0.70 HMGCR (0.51) HMGCR

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-5068346-A Anticholesterol agents BRISTOL-MYERS COMPANY (US) 1991-11-26 US disclosed