SCHEMBL29875751

SCHEMBL29875751

Nc1c(O)cccc1CCc1cccc(O)c1N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
G6PD P11413 1/20 0.46
CASP7 P55210 1/20 0.46
CASP6 P55212 1/20 0.46
HSPA5 P11021 1/20 0.46
IDO1 P14902 2/20 0.43
ALOX15 P16050 2/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
ADAMTS4 O75173 1/20 0.41
ALDH1A1 P00352 1/20 0.41
EGFR P00533 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
FYN P06241 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
HPGD P15428 1/20 0.41
MMP8 P22894 1/20 0.41

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
SCHEMBL10624720 0.88 TAAR1 (0.45) TAAR1G6PDCASP7CASP6HSPA5
SCHEMBL18469204 0.88 TAAR1 (0.68) TAAR1G6PDCASP7CASP6ALOX15
SCHEMBL31621098 0.87 HSPA5 (0.56) TAAR1G6PDCASP7CASP6HSPA5
SCHEMBL564903 0.87 HSPA5 (0.56) TAAR1G6PDCASP7CASP6HSPA5
SCHEMBL7770035 0.87 MPO (0.49) TAAR1KDM4EMPO
SCHEMBL10438966 0.86 IAPP (0.44) TAAR1G6PDCASP7CASP6HSPA5
SCHEMBL16245937 0.86 TAAR1 (0.43) TAAR1G6PDCASP7CASP6HSPA5
SCHEMBL3685539 0.86 TAAR1 (0.43) TAAR1G6PDCASP7CASP6HSPA5
SCHEMBL31033256 0.85 G6PD (0.43) TAAR1G6PDCASP7CASP6HSPA5
SCHEMBL3167058 0.85 G6PD (0.43) TAAR1G6PDCASP7CASP6HSPA5

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-115197344-A Method for producing polymer, composition for radical polymerization, and regulator for radical polymerization 彭之皓 2022-10-18 CN disclosed