SCHEMBL31345554

SCHEMBL31345554

C=CCc1ccc2c(c1)CN(c1ccc(N3COc4ccc(CC=C)cc4C3)cc1)CO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
CYP3A4 P08684 4/20 0.49
CYP1A2 P05177 1/20 0.49
XDH P47989 1/20 0.36
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 3/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
MEN1 O00255 2/20 0.35
GABRA1 P14867 2/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
GABRB2 P47870 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH2 P05091 1/20 0.35
AKR1B1 P15121 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PPARA Q07869 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
SCHEMBL863021 0.82 MAPT (0.46) MAPTCYP3A4CYP1A2XDHALDH1A1
SCHEMBL28031689 0.80 CHKA (0.35) MAPTKDM4EGAAKMT2ANPC1
SCHEMBL21852139 0.78 MAPT (0.39) MAPTCYP3A4CYP1A2XDHALDH1A1
SCHEMBL22957027 0.77 ADRA2A (0.40) MAPTCYP3A4ALDH1A1GAAMEN1
SCHEMBL22957026 0.77 CYP1A2 (0.30) MAPTCYP3A4CYP1A2
SCHEMBL19107746 0.77 MAPT (0.41) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL12143524 0.77 NPC1 (0.40) MAPTCYP3A4KDM4EGAAMEN1
SCHEMBL40317 0.77 NPC1 (0.40) MAPTCYP3A4KDM4EGAANPC1
SCHEMBL21316809 0.76 UTS2R (0.31)
SCHEMBL21316810 0.76 ADRA2A (0.43) MAPTCYP3A4ALDH1A1KDM4EGAA

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-119565411-A Solvent-resistant polyimide film and preparation method and application thereof 苏州大学 2025-03-07 CN disclosed