SCHEMBL13652318

SCHEMBL13652318

Cc1cc(C=O)ccc1-c1ccccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.46
▸ PTGS2 P35354 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.42
▸ ALDH1A3 P47895 2/20 0.42
▸ HPGD P15428 4/20 0.42
▸ TRIM24 O15164 2/20 0.42
▸ TRIM33 Q9UPN9 2/20 0.42
▸ ALDH5A1 P51649 2/20 0.42
▸ ABAT P80404 2/20 0.42
▸ AOX1 Q06278 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HTR2B P41595 2/20 0.42
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ TTR P02766 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ MAPT P10636 2/20 0.36

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
SCHEMBL21459434 0.83 RAB9A (0.50) RAB9APTGS2KDM4EALDH1A1HPGD
SCHEMBL17158372 0.80 MYC (0.51) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL13652592 0.79 ALDH1A1 (0.46) ALDH1A1ALDH1A3HPGDMAPTCYP1A2
SCHEMBL24196919 0.77 AKR1C3 (0.52) RAB9AALDH1A1ALDH1A3HPGDTRIM24
SCHEMBL11837965 0.77 ESR2 (0.53) KDM4EALDH1A1ALDH1A3TRIM24TRIM33
SCHEMBL29362536 0.76 TP53 (0.52) RAB9AKDM4EALDH1A1HPGDTDP1
SCHEMBL29120292 0.76 ESR2 (0.62) ALDH1A1ESR2ALOX5MAPTMEN1
SCHEMBL1828915 0.76 TP53 (0.52) RAB9AKDM4EALDH1A1HPGDTDP1
SCHEMBL5964273 0.76 TRPA1 (0.46) ALDH1A1ALDH1A3
SCHEMBL13652446 0.76 ALDH1A1 (0.40) ALDH1A1ALDH1A3TTRSMN1; SMN2TSHR

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-2009131090-A1 AMINO ACID COMPOUND 旭化成ファーマ株式会社 (JP) 2009-10-29 — — WO disclosed
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