SCHEMBL9577656

SCHEMBL9577656

CC1(C)Cc2ccccc2C(c2ccccc2)=C1C=CC(O)CC(=O)CC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX12 P18054 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
LMNA P02545 2/20 0.32
MMP12 P39900 1/20 0.32
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL9577647 1.00 MTNR1A (0.34) MTNR1AMTNR1BL3MBTL1POLBALDH1A1
SCHEMBL9373017 0.85 HMGCR (0.39) CYP2C9MMP12
SCHEMBL9577567 0.79 HMGCR (0.49) CYP2C9
SCHEMBL9577625 0.79 HMGCR (0.39) CYP2C9MMP12MEN1KMT2A
SCHEMBL9749704 0.75 PTGS2 (0.32) ALDH1A1LMNAMAPTHTTHPGD
SCHEMBL9749709 0.75 PTGS2 (0.32) ALDH1A1LMNAMAPTHTTHPGD
SCHEMBL10408051 0.73 HMGCR (0.35) ALDH1A1CYP1A2CYP2C9SMN1; SMN2LMNA
SCHEMBL9845366 0.73 HMGCR (0.35) ALDH1A1CYP2C9MAPTKDM4EHPGD
SCHEMBL10408048 0.73 HMGCR (0.35) ALDH1A1CYP1A2CYP2C9SMN1; SMN2LMNA
SCHEMBL9577632 0.72 LMNA (0.39) MTNR1AMTNR1BL3MBTL1POLBALDH1A1

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