SCHEMBL9577632

SCHEMBL9577632

CC1(C)Cc2ccccc2C(c2ccccc2)=C1/C=C/C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 7/20 0.35
TRPA1 O75762 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
PPARG P37231 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
NCOR2 Q9Y618 2/20 0.34
POLB P06746 1/20 0.34
PRNP P04156 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP2D6 P10635 1/20 0.32
HPGD P15428 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32

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
SCHEMBL9577636 1.00 LMNA (0.39) LMNAKMT2ATSHRALDH1A1TRPA1
SCHEMBL9744496 0.77 PTGS2 (0.39) LMNAKMT2AALDH1A1HTTHPGD
SCHEMBL9577638 0.74 KMT2A (0.42) LMNAKMT2ATSHRALDH1A1MAPK1
SCHEMBL9577656 0.72 MTNR1A (0.34) LMNAKMT2AALDH1A1L3MBTL1POLB
SCHEMBL9373017 0.72 HMGCR (0.39)
SCHEMBL9577647 0.72 MTNR1A (0.34) LMNAKMT2AALDH1A1L3MBTL1POLB
SCHEMBL9577592 0.71 HMGCR (0.50)
SCHEMBL9577594 0.71 HMGCR (0.50)
SCHEMBL29661169 0.63 NPSR1 (0.50) LMNAKMT2AALDH1A1L3MBTL1PPARG
SCHEMBL1745254 0.63 NPSR1 (0.50) LMNAKMT2AALDH1A1L3MBTL1PPARG

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