SCHEMBL25527330

SCHEMBL25527330

O=C(O)c1ccc(F)cc1OCCS

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 1/20 0.46
PTK2B Q14289 1/20 0.46
DCLRE1B Q9H816 1/20 0.42
KEAP1 Q14145 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
PKM P14618 1/20 0.40
KDM4E B2RXH2 3/20 0.38
HTT P42858 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
METTL3 Q86U44 1/20 0.37
METTL14 Q9HCE5 1/20 0.37
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AKR1A1 P14550 1/20 0.37
AKR1B1 P15121 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
SCHEMBL25527327 0.87 PKM (0.46) ALDH1A1KMT2APTK2BDCLRE1BKEAP1
SCHEMBL12466431 0.85 ALDH1A1 (0.47) ALDH1A1KMT2APTK2BKEAP1FFAR4
SCHEMBL25527375 0.84 ALDH1A1 (0.47) ALDH1A1KMT2APTK2BDCLRE1BKEAP1
SCHEMBL25345347 0.83 ALDH1A1 (0.49) ALDH1A1KMT2APTK2BKEAP1FFAR4
SCHEMBL28826108 0.81 KEAP1 (0.46) ALDH1A1KMT2APTK2BDCLRE1BKEAP1
SCHEMBL20471860 0.81 PTPN11 (0.52) KMT2ALTB4RLTB4R2RARARARB
SCHEMBL15048810 0.80 TSHR (0.51) KMT2AKEAP1FFAR4KDM4E
SCHEMBL31468805 0.80 PKM (0.61) KEAP1FFAR4PKMKDM4EHTT
SCHEMBL11019764 0.80 ALDH1A1 (0.71) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL7345021 0.77 KDM4E (0.48) ALDH1A1KMT2AKEAP1FFAR4KDM4E

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
US-20230152696-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed
US-20230152696-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed