SCHEMBL29100401

SCHEMBL29100401

CCCc1ccc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
PSMB5 P28074 1/20 0.47
ALOX5 P09917 2/20 0.46
BACE1 P56817 1/20 0.45
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PDK2 Q15119 1/20 0.42
MCL1 Q07820 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41

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
SCHEMBL11325207 0.85 PSMB5 (0.61) PSMB5BACE1ALDH1A1HPGDHSD17B10
SCHEMBL10696488 0.84 RARB (0.48) CNR1CNR2PSMB5ALOX5BACE1
SCHEMBL29993202 0.84 HSD11B1 (0.47) CNR1CNR2KDM4ENPC1ALDH1A1
SCHEMBL1951510 0.82 FFAR1 (0.54) KDM4ENPC1ALDH1A1MAPTPKM
SCHEMBL6547024 0.81 PSMB5 (0.50) CNR1CNR2PSMB5ALOX5BACE1
SCHEMBL28581448 0.81 CNR1 (0.58) CNR1CNR2PSMB5ALOX5BACE1
SCHEMBL29086650 0.81 PSMB5 (0.51) PSMB5ALDH1A1MAPTHSD17B10
SCHEMBL4604288 0.80 PSMB5 (0.53) PSMB5
SCHEMBL8459740 0.80 MAPT (0.57) PSMB5BACE1NPC1ALDH1A1MAPT
SCHEMBL19567203 0.80 CSNK2A1 (0.64) CNR1CNR2PSMB5ALOX5BACE1

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-116813452-A Method for preparing dihydro-honokiol 济南明微医药科技有限公司 2023-09-29 CN disclosed