SCHEMBL18891403

SCHEMBL18891403

CCc1cc(OC)c(C(C)(C)C)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.59
▸ TUBB1 Q9H4B7 1/20 0.41
▸ CA2 P00918 1/20 0.39
▸ HSPA5 P11021 1/20 0.36
▸ HTR2A P28223 3/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ HTR2B P41595 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ PPARG P37231 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ PPARA Q07869 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
SCHEMBL11436174 0.75 ALDH1A1 (0.48) TUBB1CA2ALDH1A1LMNATP53
SCHEMBL10212113 0.75 TP53 (0.39) CA2HTR2AALDH1A1LMNATP53
SCHEMBL30374 0.75 PTGS2 (1.00) PTGS2TUBB1HTR2AHTR2CHTR2B
SCHEMBL18891404 0.75 ACHE (0.54) PTGS2TUBB1CA2HTR2AALDH1A1
SCHEMBL13754262 0.75 PTGS2 (0.67) PTGS2TUBB1CA2HTR2AHTR2C
SCHEMBL31588838 0.74 PTGS2 (0.48) PTGS2TUBB1CA2HTR2AALDH1A1
SCHEMBL11440282 0.74 PTGS2 (0.48) PTGS2TUBB1CA2HTR2AALDH1A1
SCHEMBL11680125 0.73 CYP3A4 (0.56) PTGS2CA2ALDH1A1LMNATP53
SCHEMBL19526039 0.73 PTGS2 (0.64) PTGS2TUBB1CA2HTR2AHTR2C
SCHEMBL8429647 0.73 PTGS2 (0.64) PTGS2TUBB1CA2HTR2AHTR2C

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-9656969-B2 Polymer film, retardation film, polarizing plate, liquid crystal display, and compound FUJIFILM CORPORATION (JP) 2017-05-23 — — US disclosed
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