SCHEMBL31744498

SCHEMBL31744498

CCOP(=O)(CCCCn1c2cc(Br)c(OC)cc2c2cc(OC)c(Br)cc21)OCC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 1/20 0.43
▸ PSEN2 P49810 1/20 0.43
▸ APH1B Q8WW43 1/20 0.43
▸ NCSTN Q92542 1/20 0.43
▸ APH1A Q96BI3 1/20 0.43
▸ PSENEN Q9NZ42 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ RAD52 P43351 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TSHR P16473 2/20 0.36
▸ SPR P35270 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ LMNA P02545 3/20 0.34
▸ P4HB P07237 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL31744507 0.95 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31744506 0.95 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31609260 0.90 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31609303 0.86 ALDH1A1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30972550 0.79 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31250783 0.79 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31609235 0.79 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30972540 0.78 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31609300 0.78 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31744491 0.77 KMT2A (0.43) ALDH1A1RAD52KMT2AL3MBTL1MEN1

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
US-20250386724-A1 POLYMER HOLE-TRANSPORTING MATERIALS AND APPLICATION THEREOF UNIV HONG KONG SCIENCE & TECH (CN) 2025-12-18 — — US disclosed
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