SCHEMBL30536660

SCHEMBL30536660

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN(CCC(=O)O)C(=O)c1cc2cc(F)c(O)c(F)c2oc1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ MAOA P21397 4/20 0.38
▸ MAOB P27338 4/20 0.38
▸ GPR35 Q9HC97 3/20 0.34
▸ TP53 P04637 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ NPC1 O15118 1/20 0.31

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
SCHEMBL25396755 1.00 ALDH1A1 (0.38) ALDH1A1MAOAMAOBGPR35TP53
SCHEMBL26322247 0.94 ALDH1A1 (0.41) ALDH1A1MAOAMAOBGPR35TP53
SCHEMBL25397604 0.86 KMT2A (0.40) ALDH1A1MAOAMAOBTP53MAPT
SCHEMBL26322248 0.81 ALDH1A1 (0.45) ALDH1A1MAPTKMT2AKDM4E
SCHEMBL14329729 0.78 MAOA (0.39) ALDH1A1MAOAMAOB
SCHEMBL16521977 0.74 MAOA (0.38) ALDH1A1MAOAMAOB
SCHEMBL29406299 0.70 GPR35 (0.66) ALDH1A1MAOAMAOBGPR35HPGD
SCHEMBL737629 0.70 GPR35 (0.66) ALDH1A1MAOAMAOBGPR35HPGD
SCHEMBL25166839 0.70 MAOB (0.43) ALDH1A1MAOAMAOBGPR35TP53
SCHEMBL25166841 0.70 MAOB (0.43) ALDH1A1MAOAMAOBGPR35TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4496854-A1 VIOLET EXCITABLE TANDEM DYES, AND METHODS FOR MAKING AND USING THE SAME Becton, Dickinson and Company (US) 2025-01-29 — — EP disclosed
WO-2023183152-A1 VIOLET EXCITABLE TANDEM DYES, AND METHODS FOR MAKING AND USING THE SAME BECTON, DICKINSON AND COMPANY (US) 2023-09-28 — — WO disclosed
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