SCHEMBL25738337

SCHEMBL25738337

CCCCCSc1ccc(OCC)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.47
▸ CNR2 P34972 7/20 0.42
▸ HTT P42858 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CNR1 P21554 3/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ NTSR1 P30989 1/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CYSLTR2 Q9NS75 1/20 0.39
▸ CYSLTR1 Q9Y271 1/20 0.39
▸ MCOLN3 Q8TDD5 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL25738336 0.98 PTGS2 (0.48) PTGS2CNR2HTTMEN1KMT2A
SCHEMBL10192728 0.91 MEN1 (0.47) PTGS2CNR2HTTMEN1KMT2A
SCHEMBL14839250 0.90 MEN1 (0.52) PTGS2CNR2HTTMEN1KMT2A
SCHEMBL18644354 0.87 PTGS2 (0.44) PTGS2CNR2HTTMEN1KMT2A
SCHEMBL14407862 0.86 CNR1 (0.47) PTGS2CNR2HTTMEN1KMT2A
SCHEMBL15521629 0.86 PTGS2 (0.48) PTGS2CNR2HTTMAPTNPSR1
SCHEMBL17285481 0.86 MEN1 (0.43) PTGS2CNR2HTTMEN1KMT2A
SCHEMBL25738341 0.86 PTGS2 (0.45) PTGS2CNR2HTTMEN1KMT2A
SCHEMBL15889888 0.86 IDO1 (0.50) PTGS2CNR2HTTMEN1KMT2A
SCHEMBL25738335 0.85 PTGS2 (0.49) PTGS2CNR2HTTMEN1KMT2A

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
US-20230152698-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 — — US disclosed
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