SCHEMBL21040127

SCHEMBL21040127

Fc1ccc(-c2ccccc2P)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ SLC6A4 P31645 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ NR4A2 P43354 1/20 0.42
▸ HTR7 P34969 2/20 0.42
▸ HTR2C P28335 1/20 0.40
▸ USP1 O94782 1/20 0.39
▸ WDR48 Q8TAF3 1/20 0.39
▸ MAPK14 Q16539 3/20 0.38
▸ ALDH1A3 P47895 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37

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
SCHEMBL2543678 0.82 ENPP1 (0.42) PTGS2PTGS1SLC6A4SLC6A3NR4A2
SCHEMBL366715 0.79 ALDH1A1 (0.48) PTGS2ALDH1A1CASP3SENP8SENP7
SCHEMBL29647544 0.79 ALDH1A1 (0.48) PTGS2ALDH1A1CASP3SENP8SENP7
SCHEMBL27649740 0.77 PTGS2 (0.57) PTGS2PTGS1SLC6A4SLC6A3NR4A2
SCHEMBL29212557 0.77 ALDH1A1 (0.46) PTGS2ALDH1A1CASP3SENP8SENP7
SCHEMBL29048966 0.77 ALDH1A1 (0.46) PTGS2NPC1ALDH1A1MAPTCASP3
Hydrochloric Acid SCHEMBL28896072 0.77 ALDH1A1 (0.46) PTGS2ALDH1A1CASP3RAB9ASENP8
Biphenyl SCHEMBL9579764 0.77 ALDH1A1 (0.50) PTGS2NPC1ALDH1A1MAPTCASP3
Water SCHEMBL7865200 0.77 ALDH1A1 (0.46) PTGS2ALDH1A1CASP3SENP8SENP7
SCHEMBL8036043 0.77 ALDH1A1 (0.46) PTGS2ALDH1A1CASP3SENP8SENP7

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-2019103155-A1 EUROPIUM COMPLEX 東ソー株式会社 2019-05-31 — — WO disclosed
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