SCHEMBL28301168

SCHEMBL28301168

COc1ccc(Cc2ccccc2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.56
▸ MTNR1A P48039 1/20 0.51
▸ MTNR1B P49286 1/20 0.51
▸ GPR55 Q9Y2T6 2/20 0.50
▸ HSP90AA1 P07900 2/20 0.48
▸ SLC6A4 P31645 2/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ CYP11B1 P15538 2/20 0.46
▸ CYP11B2 P19099 2/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ MAOB P27338 1/20 0.45

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
SCHEMBL3840431 0.89 LTA4H (0.50) LTA4HSLC6A4HTR2AKCNH2ALDH1A1
SCHEMBL7342450 0.87 LTA4H (0.54) LTA4HMTNR1AMTNR1BGPR55HSP90AA1
SCHEMBL11843492 0.83 SLC6A4 (0.47) LTA4HMTNR1AMTNR1BSLC6A4SLC6A2
SCHEMBL9349881 0.82 DHODH (0.54) LTA4HSLC6A4SLC6A2SLC6A3MAOB
SCHEMBL11464397 0.82 CA1 (0.53) ALDH1A1
SCHEMBL3300286 0.81 LTA4H (0.58) LTA4HMTNR1AMTNR1BGPR55ALDH1A1
SCHEMBL11292183 0.81 LTA4H (0.58) LTA4HMTNR1AMTNR1BGPR55CYP11B1
SCHEMBL6159185 0.79 LTA4H (0.56) LTA4HMTNR1AMTNR1BGPR55CYP11B1
SCHEMBL30419864 0.79 ALOX5 (0.66) LTA4HMTNR1AMTNR1BHSP90AA1SLC6A2
SCHEMBL7116653 0.79 MTNR1A (0.62) LTA4HMTNR1AMTNR1BGPR55HSP90AA1

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
CN-110015952-B Diaryl methane compound and preparation method and application thereof 北京大学深圳研究生院 2022-08-19 — — CN disclosed
CN-110015952-A Diarylmethanes class compound and its preparation method and application 北京大学深圳研究生院 2019-07-16 — — CN disclosed
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