SCHEMBL24313236

SCHEMBL24313236

CCCCOC[C@@H](C)c1cc(Br)ccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.36
HTT P42858 3/20 0.36
THRB P10828 1/20 0.36
KDM4E B2RXH2 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TSHR P16473 1/20 0.35
PDE2A O00408 2/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
P2RX7 Q99572 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 4/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL24654673 0.84 MAPT (0.40) HPGDTHRBKDM4ETDP1MAPK1
SCHEMBL24313196 0.84 HTR2A (0.39) HTTKDM4ETDP1MEN1KMT2A
SCHEMBL24654606 0.83 MEN1 (0.38) MAPK1MEN1KMT2ATSHRCYSLTR2
SCHEMBL24313210 0.78 L3MBTL1 (0.43) HPGDTHRBKDM4ETDP1MAPK1
SCHEMBL22028461 0.77 ALDH1A1 (0.38) HPGDHTTTHRBTDP1MAPK1
SCHEMBL24313197 0.76 RORC (0.48) HPGDTDP1MAPK1MEN1KMT2A
SCHEMBL24313107 0.75 CASR (0.33) HPGDMEN1KMT2APDE2AP2RX7
SCHEMBL24313117 0.75 CASR (0.33) HPGDMEN1KMT2APDE2AP2RX7
SCHEMBL24313116 0.74 GLA (0.36) HTTKDM4ETDP1MEN1KMT2A
SCHEMBL24313254 0.74 AR (0.35) HPGDHTTKDM4ETSHRALDH1A1

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
EP-4043460-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF Merck Patent GmbH (DE) 2022-08-17 EP disclosed
EP-3784666-B1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2022-03-16 EP disclosed