SCHEMBL22471796

SCHEMBL22471796

CCCCCCCCCCCCCCCCCCOC(=O)Cc1cc(O)cc(O)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.54
NAAA Q02083 1/20 0.53
PTGS2 P35354 3/20 0.51
ESR1 P03372 3/20 0.49
AKR1C4 P17516 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL31296576 1.00 HSP90AB1 (0.54) HSP90AB1NAAAPTGS2ESR1AKR1C4
SCHEMBL22471833 1.00 HSP90AB1 (0.54) HSP90AB1NAAAPTGS2ESR1AKR1C4
SCHEMBL31296569 1.00 HSP90AB1 (0.54) HSP90AB1NAAAPTGS2ESR1AKR1C4
SCHEMBL22471808 1.00 HSP90AB1 (0.54) HSP90AB1NAAAPTGS2ESR1AKR1C4
SCHEMBL22471812 1.00 HSP90AB1 (0.54) HSP90AB1NAAAPTGS2ESR1AKR1C4
SCHEMBL22471805 1.00 HSP90AB1 (0.54) HSP90AB1NAAAPTGS2ESR1AKR1C4
SCHEMBL31296581 1.00 HSP90AB1 (0.54) HSP90AB1NAAAPTGS2ESR1AKR1C4
SCHEMBL22471842 1.00 HSP90AB1 (0.54) HSP90AB1NAAAPTGS2ESR1AKR1C4
SCHEMBL22471828 1.00 HSP90AB1 (0.54) HSP90AB1NAAAPTGS2ESR1AKR1C4
SCHEMBL31296590 1.00 HSP90AB1 (0.54) HSP90AB1NAAAPTGS2ESR1AKR1C4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113767159-B Reversible thermochromic microcapsule pigment 百乐墨水株式会社 2024-12-06 CN disclosed
CN-113767159-A Reversible thermochromic microcapsule pigments 百乐墨水株式会社 2021-12-07 CN disclosed
WO-2020196073-A1 REVERSIBLE THERMOCHROMIC MICROCAPSULE PIGMENT パイロットインキ株式会社 2020-10-01 WO disclosed