SCHEMBL30003089

SCHEMBL30003089

Cc1cc(OCCOc2ccccc2)c2ccccc2c1OCCOc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 4/20 0.47
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.40
CASP6 P55212 1/20 0.40
DRD3 P35462 1/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
RECQL P46063 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 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
SCHEMBL23271895 1.00 KCNA3 (0.47) KCNA3DRD2DRD4HTTALDH1A1
SCHEMBL23271964 0.85 HTT (0.44) HTTALDH1A1MAPK1L3MBTL1RAB9A
SCHEMBL30003499 0.85 HTT (0.44) HTTALDH1A1MAPK1L3MBTL1RAB9A
SCHEMBL23271981 0.83 HTT (0.45) HTTALDH1A1POLBL3MBTL1HTR1B
SCHEMBL19612190 0.83 CNR1 (0.43) HTTRAB9ANPC1
SCHEMBL23271793 0.82 IDO1 (0.51) HTTALDH1A1MAPK1L3MBTL1HTR1D
SCHEMBL19612394 0.82 CYP2C9 (0.46) HTTALDH1A1L3MBTL1HTR1BMAPT
SCHEMBL30003324 0.82 CYP2C9 (0.46) HTTALDH1A1L3MBTL1HTR1BMAPT
SCHEMBL30003274 0.82 IDO1 (0.51) HTTALDH1A1MAPK1L3MBTL1HTR1D
SCHEMBL19612246 0.79 S1PR5 (0.47) HTTALDH1A1L3MBTL1TSHRMAPT

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