SCHEMBL31544516

SCHEMBL31544516

COc1cc(C=O)ccc1OCc1nc2ccc(Cl)cc2o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.52
MAPT P10636 7/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HPGD P15428 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
FDPS P14324 1/20 0.49
TACR2 P21452 1/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HTT P42858 2/20 0.46
TSHR P16473 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.43
ALOX12 P18054 1/20 0.43

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
SCHEMBL31544508 0.91 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL31544519 0.88 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL31544505 0.87 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL31544501 0.85 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL31544513 0.81 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL31544512 0.80 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL31544504 0.80 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL31544515 0.80 MAPT (0.44) MAPTMEN1KMT2AHPGDNPC1
SCHEMBL31544503 0.76 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL413085 0.75 TACR2 (0.78) ALDH1A1MAPTMEN1KMT2AHPGD

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-119775223-A Benzoxazole derivative containing dithioacetal unit, and preparation method and application thereof 贵州大学 2025-04-08 CN disclosed