SCHEMBL30003581

SCHEMBL30003581

C1=CCc2c(c(OCCOc3ccccc3)c3ccccc3c2OCCOc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 4/20 0.47
TSHR P16473 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RECQL P46063 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 2/20 0.41
MAOB P27338 2/20 0.39
MAOA P21397 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
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL23271931 1.00 KCNA3 (0.47) KCNA3TSHRNPC1RAB9AL3MBTL1
SCHEMBL12603994 0.82 KCNA3 (0.61) KCNA3TSHRNPC1RAB9AL3MBTL1
SCHEMBL30004087 0.82 KCNA3 (0.47) KCNA3TSHRNPC1RAB9AL3MBTL1
SCHEMBL23271754 0.82 KCNA3 (0.47) KCNA3TSHRNPC1RAB9AL3MBTL1
SCHEMBL30003032 0.82 TSHR (0.40) TSHRL3MBTL1ALDH1A1
SCHEMBL12997431 0.82 TSHR (0.40) TSHRL3MBTL1ALDH1A1
SCHEMBL23271792 0.81 NPC1 (0.42) NPC1RAB9AMAOBMAOA
SCHEMBL23271735 0.80 PTGER4 (0.41) TSHRALDH1A1
SCHEMBL30004211 0.80 ALDH1A1 (0.44) KCNA3RECQLALDH1A1HTR1DHTR1B
SCHEMBL30004147 0.80 PTGER4 (0.41) TSHRALDH1A1

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