SCHEMBL31485752

SCHEMBL31485752

O=C1CCCc2oc3ccc(O)cc3c21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C19 P33261 1/20 0.59
PIM1 P11309 1/20 0.47
PIM3 Q86V86 1/20 0.47
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
USP2 O75604 1/20 0.46
PRKD1 Q15139 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
TP53 P04637 3/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 2/20 0.45
THRB P10828 1/20 0.45
ALOX15 P16050 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45

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
SCHEMBL10323706 0.81 PIM1 (0.47) CYP3A4PIM1PIM3ALDH1A1SMN1; SMN2
SCHEMBL30248853 0.77 PIM1 (0.48) CYP3A4PIM1PIM3ALDH1A1SMN1; SMN2
SCHEMBL7433627 0.77 PIM1 (0.48) CYP3A4PIM1PIM3ALDH1A1SMN1; SMN2
SCHEMBL10401208 0.75 LMNA (0.66) CYP3A4CYP1A2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL27929425 0.75 PIM1 (0.50) CYP3A4PIM1PIM3ALDH1A1SMN1; SMN2
SCHEMBL4395752 0.75 CYP1A2 (1.00) CYP3A4CYP1A2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL30392254 0.75 CYP1A2 (1.00) CYP3A4CYP1A2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL28798906 0.74 PIM1 (0.59) CYP3A4CYP1A2CYP2C19PIM1PIM3
SCHEMBL8870570 0.73 CYP1A2 (0.96) CYP3A4CYP1A2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL28798870 0.73 PIM1 (0.54) PIM1PIM3ALDH1A1SMN1; SMN2USP2

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-119775241-A 5-Hydroxy benzofuran derivative and preparation method thereof 华东理工大学 2025-04-08 CN disclosed