SCHEMBL22838188

SCHEMBL22838188

Cc1ccc(C(=O)OCCS)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ ESR1 P03372 3/20 0.50
▸ TSHR P16473 3/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ KDR P35968 1/20 0.50
▸ GAA P10253 2/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ PHLPP2 Q6ZVD8 1/20 0.49
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ ESR2 Q92731 1/20 0.48
▸ CA14 Q9ULX7 1/20 0.48

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
SCHEMBL997009 0.90 TDP1 (0.54) TDP1RAB9ANPC1ALDH1A1MAPT
SCHEMBL206554 0.88 TDP1 (0.61) TDP1RAB9ANPC1ALDH1A1MAPT
SCHEMBL25550796 0.85 ALDH1A1 (0.70) TDP1RAB9ANPC1ALDH1A1MAPT
SCHEMBL6578044 0.84 TDP1 (0.64) TDP1RAB9ANPC1ALDH1A1MAPT
SCHEMBL13410610 0.84 TSHR (0.59) TDP1RAB9ANPC1ALDH1A1MAPT
SCHEMBL19400955 0.83 TSHR (0.55) TDP1RAB9ANPC1ALDH1A1MAPT
SCHEMBL6057220 0.82 ALDH1A1 (0.72) TDP1RAB9ANPC1ALDH1A1MAPT
SCHEMBL14984030 0.82 TDP1 (0.62) TDP1RAB9ANPC1ALDH1A1MAPT
Ethylene Glycol SCHEMBL3446601 0.82 TDP1 (0.55) TDP1RAB9ANPC1ALDH1A1MAPT
SCHEMBL11349987 0.82 TDP1 (0.52) TDP1RAB9ANPC1ALDH1A1MAPT

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
EP-3572878-B1 PATTERNING PROCESS SHINETSU CHEMICAL CO (JP) 2020-12-30 — — EP disclosed
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