SCHEMBL30901957

SCHEMBL30901957

CC1(C)c2ccccc2-c2cccc(-c3cccc4c3Cc3ccccc3-4)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PGR P06401 3/20 0.41
HTR7 P34969 2/20 0.37
HTR2B P41595 2/20 0.37
HTR2A P28223 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP2 O95551 1/20 0.37
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
CASP9 P55211 1/20 0.37
CASP6 P55212 1/20 0.37
CASP8 Q14790 1/20 0.37
MAP3K14 Q99558 1/20 0.37

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
SCHEMBL30103334 0.79 PNMT (0.63) PNMTNPC1RAB9APGRHTR7
SCHEMBL524602 0.79 PNMT (0.63) PNMTNPC1RAB9APGRHTR7
SCHEMBL2877998 0.77 PNMT (0.61) PNMTNPC1RAB9APGRHTR7
SCHEMBL3271140 0.74 PGR (0.37) PGRHTR2BHTR2AALDH1A1DRD1
SCHEMBL29919652 0.72 ALDH1A1 (0.41) PGRHTR2BHTR2AALDH1A1HPGD
SCHEMBL21074052 0.72 ALDH1A1 (0.54) NPC1RAB9APGRHTR2BHTR2A
SCHEMBL3630935 0.72 PNMT (0.56) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL706442 0.72 ALDH1A1 (0.41) PGRHTR2BHTR2AALDH1A1HPGD
SCHEMBL30084636 0.72 ALDH1A1 (0.41) PGRHTR2BHTR2AALDH1A1HPGD
SCHEMBL1480277 0.72 PNMT (0.52) PNMTNPC1RAB9APGRHTR7

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-118119673-A Reactive dye and photosensitive composition using same 德山新勒克斯有限公司 2024-05-31 CN disclosed