SCHEMBL31433131

SCHEMBL31433131

N#Cc1ccc2cc3c(OCCCCn4c5ccccc5c5ccccc54)c4ccccc4cc3cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.43
PSEN1 P49768 6/20 0.41
PSEN2 P49810 6/20 0.41
APH1B Q8WW43 6/20 0.41
NCSTN Q92542 6/20 0.41
APH1A Q96BI3 6/20 0.41
PSENEN Q9NZ42 6/20 0.41
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
PTGER4 P35408 2/20 0.38
SCARB1 Q8WTV0 1/20 0.37
HTT P42858 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
ENPP3 O14638 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KCNA3 P22001 2/20 0.35
FABP4 P15090 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
SCHEMBL31433130 0.83 PSEN1 (0.52) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL31433133 0.83 PSEN1 (0.52) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL31433128 0.83 PSEN1 (0.52) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL31433127 0.74 HRH3 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31264065 0.74 CA1 (0.49) CA1CA2MAPTENPP3POLB
SCHEMBL31059235 0.70 CA1 (0.59) CA1CA2ENPP3TSHR
SCHEMBL16099363 0.68 PTGER4 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12320897 0.67 CA1 (0.56) CA1CA2ENPP3
SCHEMBL2761110 0.67 CA1 (0.57) CA1CA2TSHRTDP1
SCHEMBL16875675 0.67 CA1 (0.57) CA1CA2TSHRTDP1

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
CN-119638613-A Novel room temperature phosphorescent light-emitting body with mechanochromatic characteristic and preparation method thereof 天津大学 2025-03-18 CN disclosed