SCHEMBL8522778

SCHEMBL8522778

C=CCc1ccc(-c2cccc(Oc3ccccc3)c2)c(Oc2ccccc2)c1CC=C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 1/20 0.36
▸ NAAA Q02083 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ DGAT2 Q96PD7 2/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1B1 P15121 1/20 0.35
▸ FFAR1 O14842 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ MAOB P27338 2/20 0.34
▸ GAA P10253 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 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
SCHEMBL8522775 0.96 KDM4E (0.37) GSTP1NAAAALDH1A1KDM4EMEN1
SCHEMBL28656719 0.74 MGAT2 (0.43) ALDH1A1KDM4EMAOBLMNAALOX12
SCHEMBL5403133 0.73 GABRA1 (0.40) MEN1KMT2AAKR1B1GAAGABRA1
SCHEMBL11786271 0.73 CA1 (0.33) ALDH1A1KDM4EGAALMNAHTT
SCHEMBL7119162 0.73 GAA (0.37) ALDH1A1KDM4EMEN1KMT2AATM
SCHEMBL278393 0.72 HRH1 (0.46) ALDH1A1KDM4EKMT2AGAALMNA
SCHEMBL29100428 0.71 SMN1; SMN2 (0.33) ALDH1A1KDM4EMEN1KMT2AATM
SCHEMBL23581445 0.69 GABRA1 (0.49) ALDH1A1KDM4EKMT2AAKR1B1GAA
SCHEMBL11846234 0.69 GSTP1 (0.58) GSTP1ALDH1A1MEN1KMT2AFFAR1
SCHEMBL9859732 0.69 GABRA1 (0.37) MEN1KMT2AAKR1B1GAAGABRA1

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
JP-11323372-A — — None — — JP disclosed
JP-H11323372-A HEAT RESISTANT LUBRICATING OIL SENSHIN ZAIRYO RIYO GAS GENERATOR KENKYUSHO:KK 1999-11-26 — — JP disclosed
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