SCHEMBL27365043

SCHEMBL27365043

C[S+]([O-])c1onc(C(=O)O)c1C(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CATSPER1 Q8NEC5 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SRD5A2 P31213 1/20 0.37
▸ AKR1C3 P42330 1/20 0.35
▸ MYC P01106 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ DAO P14920 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NAPRT Q6XQN6 1/20 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
SCHEMBL996654 0.76 ALDH1A1 (0.57) CATSPER1ALDH1A1MAPTLMNAGAA
SCHEMBL27627398 0.74 ALDH1A1 (0.45) CATSPER1ALDH1A1MAPTLMNAGAA
SCHEMBL4054650 0.73 PTGS1 (0.44) CATSPER1ALDH1A1MAPTLMNAGAA
Benzophenone SCHEMBL28319285 0.69 ALDH1A1 (0.70) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL4054647 0.67 PTPN1 (0.41) CATSPER1ALDH1A1MAPTLMNAGAA
SCHEMBL27622444 0.66 SRD5A2 (0.52) ALDH1A1MAPTLMNAGAAMEN1
SCHEMBL8065192 0.65 ALDH1A1 (0.56) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL5211761 0.65 LMNA (0.47) ALDH1A1MAPTLMNAGAAMEN1
SCHEMBL1323891 0.63 ALDH1A1 (0.60) ALDH1A1MAPTLMNAGAAMEN1
SCHEMBL10478133 0.63 ALDH1A1 (0.49) CATSPER1ALDH1A1MAPTLMNAGAA

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-1057524-C Herbicides RHONE POULENC AGROCH (GB) 2000-10-18 — — CN claimed
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