SCHEMBL5359585

SCHEMBL5359585

CON=C1CC=CC=C1C=Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.40
NFE2L2 Q16236 2/20 0.40
RELA Q04206 2/20 0.37
TUBB1 Q9H4B7 2/20 0.36
CYP1A1 P04798 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP1B1 Q16678 2/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36

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
SCHEMBL7918809 0.73 SMN1; SMN2 (0.37) TRPA1NFE2L2RELACYP1A2KDM4E
SCHEMBL8972692 0.69 CHAT (0.42) TRPA1NFE2L2RELAKDM4EMEN1
SCHEMBL8972699 0.69 CHAT (0.42) TRPA1NFE2L2RELAKDM4EMEN1
(Z)-1,2-Diphenylethene SCHEMBL28053570 0.66 TRPA1 (0.68) TRPA1NFE2L2RELATUBB1CYP1A1
SCHEMBL3071691 0.64
SCHEMBL3078987 0.64
(Z)-1,2-Diphenylethene SCHEMBL819152 0.64 MAOB (0.69) TRPA1NFE2L2RELAMEN1ALDH1A1
(Z)-1,2-Diphenylethene SCHEMBL1282295 0.64 MAOB (0.69) TRPA1NFE2L2RELAMEN1ALDH1A1
(Z)-1,2-Diphenylethene SCHEMBL1376696 0.64 MAOB (0.69) TRPA1NFE2L2RELAMEN1ALDH1A1
(Z)-1,2-Diphenylethene SCHEMBL27480001 0.64 MAOB (0.69) TRPA1NFE2L2RELAMEN1ALDH1A1

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
WO-2007141798-A1 PROCESS FOR PRODUCING OXCARBAZEPINE VIA AN 11-ALKOXY-10-HALO-DIHYDROIMINOSTILBENE INTERMEDIATE JUBILANT ORGANOSYS LIMITED (IN) 2007-12-13 WO disclosed