SCHEMBL30788481

SCHEMBL30788481

COc1ccc(OCc2n[nH]c(=O)o2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.54
ALDH1A1 P00352 6/20 0.50
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MTNR1B P49286 2/20 0.46
MAPT P10636 5/20 0.46
TSHR P16473 4/20 0.46
HSD17B10 Q99714 4/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPK1 P28482 3/20 0.46
MTNR1A P48039 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2C9 P11712 1/20 0.44
NOTUM Q6P988 1/20 0.43
ALOX15 P16050 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
SCHEMBL29125716 1.00 SYK (0.54) SYKALDH1A1HPGDSMN1; SMN2MTNR1B
SCHEMBL30788474 0.84 ALDH1A1 (0.72) ALDH1A1HPGDSMN1; SMN2MTNR1BMAPT
SCHEMBL29125985 0.84 ALDH1A1 (0.72) ALDH1A1HPGDSMN1; SMN2MTNR1BMAPT
SCHEMBL29125722 0.79 ALDH1A1 (0.52) ALDH1A1HPGDSMN1; SMN2MTNR1BTSHR
SCHEMBL10937942 0.78 MEN1 (0.71) ALDH1A1HPGDSMN1; SMN2MAPTTSHR
SCHEMBL5545856 0.76 ALDH1A1 (0.68) ALDH1A1HPGDSMN1; SMN2MAPTTSHR
SCHEMBL29125684 0.75 ALDH1A1 (0.48) ALDH1A1HPGDSMN1; SMN2TSHRHSD17B10
SCHEMBL30788500 0.75 SOD1 (0.52) ALDH1A1TSHRHSD17B10MAPK1MEN1
SCHEMBL29125840 0.75 SOD1 (0.52) ALDH1A1TSHRHSD17B10MAPK1MEN1
SCHEMBL29125866 0.75 NOTUM (0.52) ALDH1A1HPGDSMN1; SMN2MAPTHSD17B10

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-117247361-A Phenol-oxazolone/thioketone compound and synthetic method and application thereof 吉首大学 2023-12-19 CN disclosed