SCHEMBL26190000

SCHEMBL26190000

CCc1ccc(OC(C)(C)C)c(OC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.39
▸ CA2 P00918 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ AKT1 P31749 1/20 0.36
▸ PDE2A O00408 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL10289876 0.82 KCNH2 (0.43) TRPA1HTTKCNH2TMEM97SIGMAR1
SCHEMBL20718709 0.82 ESR1 (0.42) CA2KCNH2TMEM97SIGMAR1ALDH1A1
SCHEMBL677278 0.82 CA2 (0.36) CA2CYP1A2KMT2AKCNH2TMEM97
SCHEMBL10592193 0.77 CFD (0.50) AKT1KMT2AALDH1A1
SCHEMBL17365427 0.76 CA2 (0.48) CA2PTGS2CYP1A2LMNASMN1; SMN2
SCHEMBL30229736 0.73 FFAR4 (0.50) KMT2A
SCHEMBL13073516 0.73 CA2 (0.50) CA2PTGS2CYP1A2LMNASMN1; SMN2
SCHEMBL12828085 0.73 CA2 (0.50) CA2PTGS2CYP1A2LMNASMN1; SMN2
SCHEMBL31619592 0.72 CA2 (0.44) CA2PTGS2CYP1A2LMNASMN1; SMN2
SCHEMBL31239074 0.72 ALDH1A1 (0.50) CA2PTGS2LMNASMN1; SMN2HTT

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-11747727-B2 Chemical liquid, chemical liquid storage body, pattern forming method, and kit FUJIFILM CORPORATION (JP) 2023-09-05 — — US disclosed
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