SCHEMBL30724099

SCHEMBL30724099

COc1cccc(CCCC(CC(F)(F)F)C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL30769196 0.93 MEN1 (0.48) MTNR1AMTNR1BHDAC1HDAC6KDM4E
SCHEMBL1858307 0.84 MTNR1A (0.53) MTNR1AMTNR1BHDAC1HDAC6KMT2A
SCHEMBL28820181 0.79 MTNR1A (0.57) MTNR1AMTNR1BHDAC1HDAC6MEN1
SCHEMBL28020307 0.79 MTNR1A (0.57) MTNR1AMTNR1BHDAC1HDAC6MEN1
SCHEMBL14286887 0.79 CYSLTR2 (0.58) MTNR1AMTNR1BHDAC1HDAC6CHRM2
SCHEMBL4987223 0.76 MTNR1A (0.48) MTNR1AMTNR1BHDAC1HDAC6CHRM2
SCHEMBL5077290 0.76 MTNR1A (0.53) MTNR1AMTNR1BHDAC1HDAC6CHRM2
SCHEMBL27508418 0.75 MTNR1A (0.52) MTNR1AMTNR1BHDAC1HDAC6CHRM2
SCHEMBL1856039 0.75 L3MBTL1 (0.50) MTNR1AMTNR1BHDAC1HDAC6MEN1
SCHEMBL7062570 0.74 MMP3 (0.45) KDM4EPPARGPPARAALDH1A1TDP1

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
WO-2024006776-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND MEDICAL USE THEREOF RELAY THERAPEUTICS, INC. (US) 2024-01-04 WO disclosed