SCHEMBL28078075

SCHEMBL28078075

COc1ccc(-c2cc3ccc4cccc5ccc(c2-c2ccc(OC)cc2)c3c45)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.43
▸ GPR84 Q9NQS5 1/20 0.43
▸ ADORA3 P0DMS8 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ ABCB1 P08183 3/20 0.41
▸ ABL1 P00519 2/20 0.41
▸ BCR P11274 2/20 0.41
▸ ENPP1 P22413 1/20 0.41
▸ ACACA Q13085 1/20 0.40
▸ CYP1A2 P05177 5/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ AHR P35869 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ NTRK1 P04629 1/20 0.39

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
Methoxymethane SCHEMBL27988234 0.99 ALOX5 (0.42) ALOX5GPR84ADORA3MEN1KMT2A
SCHEMBL25277498 0.85 ALDH1A1 (0.43) ADORA3MEN1KMT2ANPC1RAB9A
SCHEMBL27753123 0.85 ADORA3 (0.43) GPR84ADORA3MEN1KMT2ANPC1
SCHEMBL30307098 0.84 NTRK1 (0.47) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL28203235 0.83 ALDH1A1 (0.44) ADORA3MEN1KMT2ANPC1RAB9A
Ammonia Solution, Strong SCHEMBL27752672 0.82 ALDH1A1 (0.44) GPR84ADORA3MEN1KMT2ANPC1
SCHEMBL29227267 0.82 CYP1A2 (0.37) ALOX5MEN1KMT2ANPC1RAB9A
SCHEMBL4451069 0.81 CYP1A2 (0.52) ALOX5GPR84MEN1KMT2ARAB9A
SCHEMBL28831389 0.80 ESR1 (0.44) GPR84MEN1KMT2ANPC1RAB9A
SCHEMBL29419845 0.80 ADORA3 (0.46) ALOX5ADORA3MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105859526-A Pyrene-containing diphenol monomer, preparation method and application of pyrene-containing diphenol monomer in preparation of polyether sulphone with main chain containing pyrene group 吉林大学 2016-08-17 — — CN claimed
CN-109233813-A A kind of near ultraviolet color organic electroluminescence device and preparation method thereof 陕西师范大学 2019-01-18 — — CN disclosed
CN-105859526-A Pyrene-containing diphenol monomer, preparation method and application of pyrene-containing diphenol monomer in preparation of polyether sulphone with main chain containing pyrene group 吉林大学 2016-08-17 — — CN disclosed
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