SCHEMBL29317741

SCHEMBL29317741

COCCOc1ccc(C2(c3ccc(OCCOC)c(C)c3)c3ccccc3-c3ccccc32)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
HPGD P15428 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TSHR P16473 3/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 4/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
OPRK1 P41145 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AR P10275 2/20 0.34
S1PR1 P21453 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ADRB2 P07550 1/20 0.34
KCNN4 O15554 1/20 0.33
HTR7 P34969 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
SCHEMBL15965467 0.89 ESR1 (0.44) ESR1ESR2HPGDL3MBTL1KDM4E
SCHEMBL15965481 0.88 L3MBTL1 (0.39) ESR1ESR2HPGDL3MBTL1TSHR
SCHEMBL13713763 0.87 ESR1 (0.54) ESR1ESR2HPGDL3MBTL1TSHR
SCHEMBL4137407 0.87 ESR1 (0.48) ESR1ESR2HPGDL3MBTL1TSHR
SCHEMBL346226 0.86 ESR1 (0.56) ESR1ESR2HPGDL3MBTL1TSHR
SCHEMBL29385692 0.86 ESR1 (0.56) ESR1ESR2HPGDL3MBTL1TSHR
SCHEMBL30314588 0.86 ESR1 (0.56) ESR1ESR2HPGDL3MBTL1TSHR
SCHEMBL13730742 0.85 ESR1 (0.49) ESR1ESR2HPGDL3MBTL1TSHR
SCHEMBL383359 0.85 ESR1 (0.55) ESR1ESR2HPGDL3MBTL1TSHR
SCHEMBL29506867 0.85 ESR1 (0.55) ESR1ESR2HPGDL3MBTL1TSHR

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-4400490-A2 THERMOPLASTIC RESIN HAVING CARBONATE BOND Mitsubishi Chemical Corporation (JP) 2024-07-17 EP disclosed