SCHEMBL29337652

SCHEMBL29337652

C=C(/C=C\C(C)=C/C)N(c1ccc(C)cc1)c1ccc(C2(c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)CCCCC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.34
▸ ESR2 Q92731 4/20 0.34
▸ ALDH1A1 P00352 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HSD11B1 P28845 2/20 0.31
▸ HSD11B2 P80365 2/20 0.31
▸ CHRNA1 P02708 1/20 0.30
▸ CHRNG P07510 1/20 0.30
▸ CHRNB1 P11230 1/20 0.30
▸ CHRNB2 P17787 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ CHRNB4 P30926 1/20 0.30
▸ CHRNA3 P32297 1/20 0.30
▸ CHRNA4 P43681 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30
▸ CHRND Q07001 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL21117282 0.81 ESR1 (0.34) ESR1ESR2ALDH1A1L3MBTL1HSD11B1
SCHEMBL12123093 0.79 TRPM8 (0.40) ALDH1A1MAPT
SCHEMBL20664736 0.79 ALDH1A1 (0.36) ALDH1A1HTT
SCHEMBL12306231 0.78 ESR1 (0.48) ESR1ESR2ALDH1A1L3MBTL1HSD11B1
SCHEMBL21168792 0.78 ESR1 (0.48) ESR1ESR2ALDH1A1L3MBTL1HSD11B1
SCHEMBL5452904 0.78 ESR1 (0.48) ESR1ESR2ALDH1A1L3MBTL1HSD11B1
SCHEMBL13879208 0.78 ESR1 (0.48) ESR1ESR2ALDH1A1L3MBTL1HSD11B1
SCHEMBL39661 0.78 ESR1 (0.48) ESR1ESR2ALDH1A1L3MBTL1HSD11B1
SCHEMBL21763998 0.77 ESR1 (0.34) ESR1ESR2ALDH1A1L3MBTL1HSD11B1
SCHEMBL75338 0.76 ESR1 (0.47) ESR1ESR2ALDH1A1L3MBTL1HSD11B1

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-2024151172-A1 CYANODIPHENYL SULFONE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, AN EMISSIVE LAYER CONTAINING THEM, AN ELECTROLUMINESCENT DEVICE, AND THEIR USE Noctiluca S.A. (PL) 2024-07-18 — — WO disclosed
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