SCHEMBL28464691

SCHEMBL28464691

CCCCC(CCCc1cccc(C=CC(=O)O)c1)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 8/20 0.49
▸ KDM4E B2RXH2 5/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ HDAC4 P56524 1/20 0.48
▸ MEF2D Q14814 1/20 0.48
▸ PKM P14618 1/20 0.47
▸ LTB4R Q15722 1/20 0.46
▸ LTB4R2 Q9NPC1 1/20 0.46
▸ AKR1B10 O60218 1/20 0.44
▸ AKR1B1 P15121 1/20 0.44
▸ AKR1C2 P52895 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP4F2 P78329 2/20 0.43
▸ CYP4A11 Q02928 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL28460001 0.86 KDM4E (0.52) AKR1C3KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL2546760 0.84 HDAC4 (0.56) KDM4EALDH1A1SMN1; SMN2HDAC4MEF2D
SCHEMBL2546761 0.84 HDAC4 (0.56) KDM4EALDH1A1SMN1; SMN2HDAC4MEF2D
SCHEMBL28089992 0.75 HDAC4 (0.58) AKR1C3KDM4EALDH1A1SMN1; SMN2HDAC4
SCHEMBL28089990 0.75 HDAC4 (0.58) AKR1C3KDM4EALDH1A1SMN1; SMN2HDAC4
SCHEMBL7571051 0.74 AKR1B10 (0.52) ALDH1A1AKR1B10AKR1B1LMNA
SCHEMBL28363349 0.74 KDM4E (0.62) AKR1C3KDM4EALDH1A1SMN1; SMN2HDAC4
SCHEMBL17083115 0.74 KDM4E (0.62) AKR1C3KDM4EALDH1A1SMN1; SMN2HDAC4
SCHEMBL28366800 0.73 PPARA (0.55) HDAC4MEF2DAKR1B10AKR1B1
SCHEMBL28366799 0.73 PPARA (0.55) HDAC4MEF2DAKR1B10AKR1B1

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-111565703-A Composition containing powder 日产化学株式会社 2020-08-21 — — CN disclosed
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