SCHEMBL19245461

SCHEMBL19245461

CCCCOc1ccc(SCCOCCC)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.49
▸ CNR1 P21554 4/20 0.43
▸ CNR2 P34972 4/20 0.43
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ HTT P42858 2/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ SLC2A1 P11166 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTR1B P28222 2/20 0.38

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
SCHEMBL15521596 0.92 PTGS2 (0.46) PTGS2CNR1CNR2MEN1KMT2A
SCHEMBL18872221 0.89 KDM4E (0.40) PTGS2CNR1CNR2MEN1KMT2A
SCHEMBL14407862 0.88 CNR1 (0.47) PTGS2CNR1CNR2MEN1KMT2A
SCHEMBL10192728 0.87 MEN1 (0.47) PTGS2CNR1CNR2MEN1KMT2A
SCHEMBL19245686 0.84 SLC2A1 (0.39) PTGS2CNR1CNR2MEN1KMT2A
SCHEMBL14839250 0.83 MEN1 (0.52) PTGS2CNR1CNR2MEN1KMT2A
SCHEMBL14476089 0.82 CNR2 (0.45) PTGS2CNR1CNR2MEN1KMT2A
SCHEMBL25738349 0.81 MEN1 (0.43) PTGS2CNR1CNR2MEN1KMT2A
SCHEMBL18256394 0.81 PTGS2 (0.43) PTGS2CNR1CNR2MEN1KMT2A
SCHEMBL15521566 0.80 KMT2A (0.39) PTGS2CNR1CNR2MEN1KMT2A

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
EP-3205640-A1 MONOMER, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS Shin-Etsu Chemical Co., Ltd. (JP) 2017-08-16 — — EP disclosed
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