SCHEMBL9577625

SCHEMBL9577625

CC1(C)Cc2ccccc2C(c2ccc(Cl)cc2)=C1/C=C/C(O)CC(O)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 7/20 0.39
CYP2C9 P11712 3/20 0.39
SIRT6 Q8N6T7 2/20 0.39
NR4A2 P43354 2/20 0.39
PDE4D Q08499 2/20 0.39
ABCC3 O15438 1/20 0.39
ABCB11 O95342 1/20 0.39
PGR P06401 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
RXRA P19793 1/20 0.39
TBXA2R P21731 1/20 0.39
CCKAR P32238 1/20 0.39
ADRA1A P35348 1/20 0.39
PTGS2 P35354 1/20 0.39
SLC10A1 Q14973 1/20 0.39
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
NR1I2 O75469 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL9373017 0.93 HMGCR (0.39) HMGCRCYP2C9SIRT6NR4A2PDE4D
SCHEMBL9577567 0.91 HMGCR (0.49) HMGCRCYP2C9SIRT6NR4A2PDE4D
SCHEMBL9577647 0.79 MTNR1A (0.34) CYP2C9MMP12MEN1KMT2A
SCHEMBL9577656 0.79 MTNR1A (0.34) CYP2C9MMP12MEN1KMT2A
SCHEMBL9577560 0.72 HMGCR (0.40) HMGCRCYP2C9SIRT6NR4A2PDE4D
SCHEMBL9845365 0.72 HMGCR (0.49) HMGCRCYP2C9SIRT6NR4A2PDE4D
SCHEMBL9577596 0.72 HMGCR (0.49) HMGCRCYP2C9SIRT6NR4A2PDE4D
SCHEMBL9845362 0.72 HMGCR (0.49) HMGCRCYP2C9SIRT6NR4A2PDE4D
SCHEMBL9577746 0.71 HMGCR (0.49) HMGCRCYP2C9SIRT6NR4A2PDE4D
SCHEMBL9577623 0.70 HMGCR (0.40) HMGCRCYP2C9SIRT6NR4A2PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5183924-A Anticholesterol agents, antithrombotics, fungicides LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1993-02-02 US disclosed
US-5082859-A Anticholesterol, anticoagulant, fungicide LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1992-01-21 US disclosed