SCHEMBL31344495

SCHEMBL31344495

Oc1cccc(-c2ccccc2O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
HSD17B10 Q99714 2/20 0.62
HPGD P15428 1/20 0.62
BCL2L1 Q07817 1/20 0.62
ESR2 Q92731 3/20 0.62
HSD17B1 P14061 12/20 0.56
HSD17B2 P37059 12/20 0.56
CYP3A4 P08684 3/20 0.56
CYP2C9 P11712 2/20 0.56
ALOX5 P09917 1/20 0.56
PELI1 Q96FA3 1/20 0.51
ESR1 P03372 2/20 0.50
PTPN5 P54829 1/20 0.50
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
LMNA P02545 1/20 0.48
CA5A P35218 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48

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
SCHEMBL29352158 1.00 ALDH1A1 (0.62) ALDH1A1HSD17B10HPGDBCL2L1ESR2
SCHEMBL2186104 1.00 ALDH1A1 (0.62) ALDH1A1HSD17B10HPGDBCL2L1ESR2
SCHEMBL31344497 1.00 ALDH1A1 (0.62) ALDH1A1HSD17B10HPGDBCL2L1ESR2
SCHEMBL29450254 1.00 ALDH1A1 (0.62) ALDH1A1HSD17B10HPGDBCL2L1ESR2
Butadiene SCHEMBL28294789 0.90 ESR2 (0.53) ALDH1A1HSD17B10HPGDBCL2L1ESR2
2-Phenylphenol SCHEMBL9169316 0.90 ALDH1A1 (0.68) ALDH1A1HSD17B10HPGDBCL2L1ESR2
2-Phenylphenol SCHEMBL27903087 0.89 ALDH1A1 (0.74) ALDH1A1HSD17B10HPGDBCL2L1ESR2
SCHEMBL23824845 0.88 ESR2 (0.59) ALDH1A1HSD17B10HPGDBCL2L1ESR2
SCHEMBL7570908 0.88 HPGD (0.71) ALDH1A1HSD17B10HPGDBCL2L1ESR2
SCHEMBL29944266 0.88 HPGD (0.71) ALDH1A1HSD17B10HPGDBCL2L1ESR2

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-2024253198-A1 HEAT-RESISTANT POLYMER 旭有機材株式会社 2024-12-12 WO disclosed