SCHEMBL24428996

SCHEMBL24428996

COC(=O)c1ccc2c(c1)CCCC(c1ccc(Cl)cc1Cl)=C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
SLC6A3 Q01959 3/20 0.42
ALPL P05186 1/20 0.40
ALDH1A1 P00352 3/20 0.40
SRD5A1 P18405 1/20 0.39
SRD5A2 P31213 1/20 0.39
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PROKR1 Q8TCW9 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL30648924 1.00 MAPT (0.43) MAPTSLC6A3ALPLALDH1A1SRD5A1
SCHEMBL19230570 0.82 CYP11B1 (0.45) MAPTALDH1A1NPC1RAB9AATM
SCHEMBL24380629 0.80 SLC6A3 (0.42) MAPTSLC6A3ALPLALDH1A1SRD5A1
SCHEMBL30624594 0.79 MAOA (0.43) MAPTMEN1KMT2APROKR1CNR1
SCHEMBL26016719 0.78 SLC6A3 (0.43) MAPTSLC6A3ALPLALDH1A1SRD5A1
SCHEMBL23551029 0.77 SLC6A3 (0.42) MAPTSLC6A3ALPLALDH1A1SRD5A1
SCHEMBL24428888 0.77 SLC6A3 (0.42) MAPTSLC6A3ALPLALDH1A1SRD5A1
SCHEMBL24357704 0.77 ELANE (0.41) MEN1KMT2APROKR1
SCHEMBL23195704 0.76 PTGS2 (0.33) MAPTALDH1A1SRD5A1SRD5A2NPC1
SCHEMBL29600409 0.74 CA12 (0.41) MAPTALDH1A1SRD5A1SRD5A2NPC1

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-3847157-B1 PROCESS FOR THE PREPARATION OF METHYL 6-(2,4-DICHLOROPHENYL)-5-[4-[(3S)-1-(3-FLUOROPROPYL)PYRROLIDIN-3-YL]OXYPHENYL]-8,9-DIHYDRO-7H-BENZO[7]ANNULENE-2-CARBOXYLATE AND A SALT THEREOF SANOFI SA (FR) 2022-05-18 EP disclosed