Sugi Predict

Sugi Predict / Compounds / SCHEMBL30375252

SCHEMBL30375252

SCHEMBL30375252

Cc1cc(O)c(C)c(C)c1Cc1cc(CC(c2ccc(C(C)(C)c3cc(Cc4c(C)cc(O)c(C)c4C)c(O)c(Cc4c(C)cc(O)c(C)c4C)c3)cc2)c2cc(Cc3c(C)cc(O)c(C)c3C)c(O)c(Cc3c(C)cc(O)c(C)c3C)c2)cc(Cc2c(C)cc(O)c(C)c2C)c1O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KLF10 Q13118 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ESR1 P03372 1/20 0.31

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
SCHEMBL30375421 0.83 SHBG (0.35) KLF10ALOX15MAPK1HTTESR1
SCHEMBL30374864 0.83 ESR1 (0.41) KLF10ALOX15MAPK1HTTESR1
SCHEMBL30375290 0.81 AMY1A (0.50) KLF10ALOX15MAPK1HTTESR1
SCHEMBL30899196 0.81 ESR1 (0.38) KLF10ALOX15MAPK1HTTESR1
SCHEMBL30375400 0.80 ESR1 (0.39) KLF10ALOX15MAPK1HTTESR1
SCHEMBL30084871 0.78 ALOX15 (0.36) KLF10ALOX15MAPK1HTTESR1
SCHEMBL30374981 0.78 ESR1 (0.41) KLF10ALOX15MAPK1HTTESR1
SCHEMBL27002552 0.75 ESR1 (0.39) KLF10ALOX15MAPK1HTTESR1
SCHEMBL9307036 0.71 CYP2D6 (0.47) KLF10ALOX15MAPK1ESR1
SCHEMBL5679013 0.70 ESR1 (0.44) ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113646052-B Reversible thermochromic composition, reversible thermochromic microcapsule pigment, and writing instrument 百乐墨水株式会社 2024-05-17 — — CN disclosed
CN-113785023-B Water-based ink composition for reversible thermochromic writing instrument, refill for refill and water-based ballpoint pen incorporating same 株式会社百乐 2023-05-12 — — CN disclosed