SCHEMBL8189111

SCHEMBL8189111

C=Cc1ccc(OC(=O)OC(C)(C)C)c(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.41
▸ AOX1 Q06278 1/20 0.41
▸ ELANE P08246 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPT P10636 3/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ APP P05067 2/20 0.36
▸ CALM1 P0DP23 1/20 0.35
▸ TUBB1 Q9H4B7 8/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MIF P14174 1/20 0.35
▸ TUBB4A P04350 2/20 0.35
▸ TUBB P07437 2/20 0.35
▸ TUBA3C P0DPH7 2/20 0.35
▸ TUBA1B P68363 2/20 0.35
▸ TUBA4A P68366 2/20 0.35

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
SCHEMBL8200354 0.88 TRPA1 (0.55) TRPA1ALDH1A1ELANEKDM4EMAPT
SCHEMBL2771360 0.88 KDM4E (0.46) TRPA1ALDH1A1ELANEKDM4EMAPT
SCHEMBL24589175 0.84 KDM4E (0.50) TRPA1ALDH1A1KDM4EMAPTJAK2
SCHEMBL24589193 0.84 ELANE (0.39) TRPA1ALDH1A1ELANEKDM4EMAPT
SCHEMBL23558920 0.84 ELANE (0.44) TRPA1ELANEKDM4EMAPTAPP
SCHEMBL8200395 0.82 TRPA1 (0.49) TRPA1ALDH1A1ELANEKDM4EMAPT
SCHEMBL26740866 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EGAA
SCHEMBL1855163 0.81 ALDH1A1 (0.37) TRPA1ALDH1A1ELANEKDM4EMAPT
SCHEMBL5517515 0.80 GRIN2D (0.43) ALDH1A1KDM4EMAPTTUBB1GAA
SCHEMBL29030377 0.80 TRPA1 (0.50) TRPA1ALDH1A1AOX1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6022665-A BLEND OF SOLVENT, MODIFIED STYRENE POLYMER AND PHOTOACID GENERATOR SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-02-08 — — US disclosed
EP-0970079-A1 FARNESYL TRANSFERASE INHIBITING 1,8-ANNELATED QUINOLINONE DERIVATIVES SUBSTITUTED WITH N- OR C-LINKED IMIDAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2000-01-12 — — EP disclosed
US-5844057-A Polymers and chemically amplified positive resist compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-12-01 — — US disclosed
WO-1998040383-A1 FARNESYL TRANSFERASE INHIBITING 1,8-ANNELATED QUINOLINONE DERIVATIVES SUBSTITUTED WITH N- OR C-LINKED IMIDAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 1998-09-17 — — WO disclosed
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