SCHEMBL30004087

SCHEMBL30004087

c1ccc(OCCOc2c3c(c(OCCOc4ccccc4)c4ccccc24)CCCC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 4/20 0.47
NPC1 O15118 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CXCR2 P25025 2/20 0.44
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
PKM P14618 2/20 0.41
MAOB P27338 2/20 0.39
LTA4H P09960 1/20 0.39
MAOA P21397 1/20 0.39
ALOX12 P18054 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 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
SCHEMBL23271754 1.00 KCNA3 (0.47) KCNA3NPC1TSHRRAB9AL3MBTL1
SCHEMBL12603994 0.82 KCNA3 (0.61) KCNA3NPC1TSHRRAB9AL3MBTL1
SCHEMBL30003581 0.82 KCNA3 (0.47) KCNA3NPC1TSHRRAB9AL3MBTL1
SCHEMBL23271931 0.82 KCNA3 (0.47) KCNA3NPC1TSHRRAB9AL3MBTL1
SCHEMBL30004208 0.82 TSHR (0.40) TSHRCXCR2ALDH1A1
SCHEMBL23271657 0.82 TSHR (0.40) TSHRCXCR2ALDH1A1
SCHEMBL23271690 0.81 NPC1 (0.42) NPC1RAB9ACXCR2MAOBLTA4H
SCHEMBL23271708 0.80 ALDH1A1 (0.44) ALDH1A1RECQL
SCHEMBL23271698 0.80 KDM4E (0.47) TSHRRAB9AALDH1A1
SCHEMBL30004193 0.80 ALDH1A1 (0.44) ALDH1A1RECQL

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
CN-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed