SCHEMBL28248429

SCHEMBL28248429

C=CCc1c([SH](=O)=O)ccc(OC(C)=O)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.50
▸ SRD5A1 P18405 2/20 0.48
▸ ALOX5 P09917 2/20 0.44
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ACHE P22303 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PTPN1 P18031 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ GBA1 P04062 1/20 0.33
▸ CFD P00746 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33

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
SCHEMBL28856594 0.83 KMT2A (0.56) PTGS1SRD5A1MEN1KMT2ACYP3A4
SCHEMBL28248424 0.82 SRD5A1 (0.52) PTGS1SRD5A1ALOX5MEN1KMT2A
SCHEMBL28248426 0.77 SRD5A1 (0.47) PTGS1SRD5A1ALOX5MEN1KMT2A
SCHEMBL6094640 0.71 SRD5A1 (0.53) PTGS1SRD5A1ALOX5MEN1KMT2A
SCHEMBL10536230 0.71 PTGS1 (0.62) PTGS1SRD5A1ALOX5MEN1KMT2A
SCHEMBL11891610 0.70 PTGS1 (0.85) PTGS1SRD5A1ALOX5MEN1KMT2A
SCHEMBL11890183 0.70 ALOX5 (0.53) PTGS1SRD5A1ALOX5MEN1KMT2A
SCHEMBL18313945 0.69 ALOX5 (0.75) PTGS1SRD5A1ALOX5MEN1KMT2A
SCHEMBL12723861 0.69 ACHE (0.57) PTGS1KDM4EACHETDP1PTPN1
SCHEMBL28247877 0.69 KMT2A (0.45) PTGS1SRD5A1MEN1KMT2AKDM4E

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
CN-108884302-A Heat-curing resin constituent, prepreg and their solidfied material 日本化药株式会社 2018-11-23 — — CN disclosed
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