SCHEMBL26322259

SCHEMBL26322259

C=COCCCOc1cccc(OCCOC=C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 7/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ FURIN P09958 1/20 0.40
▸ F2 P00734 1/20 0.39
▸ PLG P00747 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ C1S P09871 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ KCNA3 P22001 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 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
SCHEMBL419321 0.94 MAPK1 (0.44) PRSS1MAPK1CYP1A2CYP2C19CYP2D6
SCHEMBL15282329 0.92 MAPK1 (0.43) PRSS1MAPK1CYP1A2CYP2C19CYP2D6
SCHEMBL3426128 0.91 MAPK1 (0.43) MAPK1CYP1A2CYP2C19CYP2D6KCNA3
SCHEMBL19051155 0.88 ALDH1A1 (0.44) PRSS1MAPK1CYP1A2CYP2C19CYP2D6
SCHEMBL26312609 0.84 FURIN (0.42) PRSS1FURINKCNA3L3MBTL1ALDH1A1
SCHEMBL2468780 0.82 KCNA3 (0.60) KCNA3MEN1KMT2ARECQLKDM4E
SCHEMBL2457262 0.82 NPC1 (0.41) MAPK1FURINMEN1KMT2AL3MBTL1
SCHEMBL1506243 0.82 THRB (0.33) MAPK1MEN1KMT2AKDM4ETDP1
SCHEMBL15170958 0.81 MAPK1 (0.35) PRSS1MAPK1CYP1A2CYP2C19CYP2D6
SCHEMBL12376816 0.81 MAPK1 (0.35) PRSS1MAPK1CYP1A2CYP2C19CYP2D6

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
US-20230296980-A1 RESIST MATERIAL AND PATTERN FORMING METHOD SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-21 — — US disclosed
US-20230296980-A1 RESIST MATERIAL AND PATTERN FORMING METHOD SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-21 — — US disclosed
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