SCHEMBL11518403

SCHEMBL11518403

CC(=O)OC1=C(C)OCC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 1/20 0.47
▸ MAPT P10636 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ PREP P48147 1/20 0.33
▸ PTGS2 P35354 3/20 0.33
▸ LMNA P02545 2/20 0.32
▸ NUAK1 O60285 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ MET P08581 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ AKT1 P31749 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ NEK2 P51955 1/20 0.32
▸ PLK1 P53350 1/20 0.32
▸ PTK2 Q05397 1/20 0.32
▸ PKN1 Q16512 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32

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
SCHEMBL28374380 0.71 NLRP3 (0.31) PREP
SCHEMBL27835331 0.69 PREP (0.38) MAPTALDH1A1SMN1; SMN2PREPPTGS2
SCHEMBL28367572 0.68 TSHR (0.32) ALOX15
SCHEMBL9869334 0.68 TYR (0.52) TYRMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL27946298 0.68 KDM4E (0.34) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10861612 0.67 CYP19A1 (0.36) MAPTALDH1A1PREPPTGS2LMNA
SCHEMBL156442 0.64 — —
SCHEMBL11301962 0.64 TYR (0.52) TYRMAPTALDH1A1GAA
SCHEMBL4741973 0.63 — —
SCHEMBL30835563 0.63 KDM4E (0.33) MAPTALDH1A1SMN1; SMN2PREPLMNA

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
US-4134901-A MERCAPTO SUBSTITUTED THIOPHENE-ONES LEVER BROTHERS COMPANY (US) 1979-01-16 — — US disclosed
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