SCHEMBL30358488

SCHEMBL30358488

Oc1cc2ccccc2cc1C(c1ccc(-c2ccccc2)cc1)c1cc2ccccc2cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.43
ESR1 P03372 3/20 0.43
ALOX5 P09917 2/20 0.42
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MMP3 P08254 1/20 0.39
BCL2L1 Q07817 1/20 0.39
PTGS2 P35354 1/20 0.38

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
SCHEMBL25916200 0.89 TYR (0.43) ALOX5MEN1GAAMAPTKMT2A
SCHEMBL10296826 0.83 TRPM4 (0.40) ALOX5KDM4EMEN1ALDH1A1GAA
SCHEMBL24638926 0.81 ALOX5 (0.55) ESR2ESR1ALOX5KDM4EMEN1
SCHEMBL19806864 0.79 TYR (0.54) ESR2ESR1ALOX5MEN1ALDH1A1
SCHEMBL51614 0.78 ALOX5 (0.55) ESR2ESR1ALOX5KDM4EMEN1
SCHEMBL51505 0.78 ALOX5 (0.55) ESR2ESR1ALOX5KDM4EMEN1
SCHEMBL19864010 0.77 MMP3 (0.52) ESR2ESR1ALOX5KDM4EMEN1
SCHEMBL18381164 0.77 MMP3 (0.52) ESR2ESR1ALOX5KDM4EMEN1
SCHEMBL22050433 0.76 CYP3A4 (0.45) ESR2ALOX5KDM4EMEN1USP2
SCHEMBL26426555 0.76 LMNA (0.47) ESR2ESR1ALOX5KDM4EMEN1

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
WO-2023058524-A1 COMPOUND, RESIN, CURABLE COMPOSITION, CURED PRODUCT, AND OPTICAL MEMBER 群栄化学工業株式会社 2023-04-13 WO disclosed