SCHEMBL30480947

SCHEMBL30480947

OP(O)(O)=S.c1ccc(-c2ccccc2-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 2/20 0.52
HPGD P15428 1/20 0.52
BCL2L1 Q07817 1/20 0.52
BACE1 P56817 1/20 0.48
CYP2A6 P11509 1/20 0.46
MAPK1 P28482 1/20 0.46
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
BCAT2 O15382 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.42
PTGS2 P35354 1/20 0.41
ALOX5 P09917 1/20 0.41
DPP4 P27487 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
HNF4A P41235 1/20 0.40
ABL1 P00519 1/20 0.39

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
Biphenyl SCHEMBL27653719 0.85 ALDH1A1 (0.60) ALDH1A1HSD17B10BCL2L1BACE1MAPK1
Phosphoric Acid SCHEMBL29542627 0.83 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDBCL2L1BACE1
Phosphoric Acid SCHEMBL1281473 0.83 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDBCL2L1BACE1
SCHEMBL2361430 0.82 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDBCL2L1BACE1
Benzene SCHEMBL28035419 0.82 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDBCL2L1BACE1
SCHEMBL21447 0.82 ALDH1A1 (0.61) ALDH1A1HSD17B10HPGDBCL2L1BACE1
Phosphoric Acid SCHEMBL242260 0.81 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDBCL2L1BACE1
SCHEMBL1256223 0.80 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGDBCL2L1BACE1
Methyl Alcohol SCHEMBL27490755 0.79 ALDH1A1 (0.60) ALDH1A1HSD17B10HPGDBCL2L1BACE1
SCHEMBL608537 0.78 ALDH1A1 (0.58) ALDH1A1HSD17B10HPGDBCL2L1BACE1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116583582-B Refrigerator oil and working fluid composition for refrigerator 引能仕株式会社 2024-12-13 CN disclosed
CN-116685664-A Refrigerator oil and working fluid composition for refrigerator 引能仕株式会社 2023-09-01 CN disclosed
CN-116583582-A Refrigerator oil and working fluid composition for refrigerator 引能仕株式会社 2023-08-11 CN disclosed