SCHEMBL9569110

SCHEMBL9569110

C(#Cc1ccccc1Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
CALM1 P0DP23 1/20 0.42
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK14 Q16539 1/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
ALOX5 P09917 1/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KEAP1 Q14145 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL5249351 0.80 HTR2A (0.42) HTR2ACALM1BCL2BCL2L1FFAR1
SCHEMBL27597351 0.78 ALDH1A1 (0.48) BRD4CREBBPHPGDSMN1; SMN2CYP3A4
SCHEMBL722161 0.75 CALM1 (0.46) HTR2ACALM1BCL2BCL2L1L3MBTL1
SCHEMBL1252940 0.75 TSHR (0.48) HTR2ACALM1BCL2BCL2L1FFAR1
SCHEMBL2870972 0.75 CALM1 (0.46) HTR2ACALM1BCL2BCL2L1ALOX5
SCHEMBL24612515 0.74 HTR2A (0.42) HTR2ACALM1BCL2BCL2L1L3MBTL1
SCHEMBL6045278 0.73 FFAR1 (0.39) CALM1FFAR1FFAR4MAPK14BRD4
SCHEMBL30270434 0.73 CYP3A4 (0.55) HTR2AFFAR1FFAR4MAPK14BRD4
SCHEMBL28554890 0.73 LMNA (0.43) CALM1FFAR1FFAR4MAPK14BRD4
SCHEMBL3888886 0.72 CALM1 (0.50) HTR2ACALM1FFAR1FFAR4HPGD

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
EP-0565450-A1 Use of peptide derivatives for the manufacture of medicaments inhibiting endopeptidases 24.15 and 24.16 COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1993-10-13 EP disclosed