SCHEMBL9577638

SCHEMBL9577638

CC1(C)Cc2ccccc2C(c2ccccc2)=C1Br

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 7/20 0.41
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
PPARG P37231 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
NCOR2 Q9Y618 2/20 0.36
PKM P14618 1/20 0.36
PRNP P04156 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9577632 0.74 LMNA (0.39) KMT2ATSHRLMNAALDH1A1MTNR1A
SCHEMBL9577636 0.74 LMNA (0.39) KMT2ATSHRLMNAALDH1A1MTNR1A
SCHEMBL8028161 0.69 FPR2 (0.39) KMT2ATSHRLMNAALDH1A1GAA
SCHEMBL15679182 0.68 MAPK1 (0.41) LMNAALDH1A1MTNR1AMTNR1BPKM
SCHEMBL9577571 0.68 KMT2A (0.44) KMT2ATSHRLMNAALDH1A1PPARG
SCHEMBL28275490 0.68 PGR (0.50) KMT2ATSHRLMNAALDH1A1L3MBTL1
Acetic Acid SCHEMBL11154140 0.67 L3MBTL1 (0.47) KMT2ATSHRLMNAALDH1A1PPARG
SCHEMBL14232084 0.67 THRB (0.40) ALDH1A1MAPK1HSD17B10NPSR1
SCHEMBL29661169 0.66 NPSR1 (0.50) KMT2ALMNAALDH1A1PPARGRXFP1
SCHEMBL1745254 0.66 NPSR1 (0.50) KMT2ALMNAALDH1A1PPARGRXFP1

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