SCHEMBL14975286

SCHEMBL14975286

O=C(OCl)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.51
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HTR2B P41595 3/20 0.43
HTR7 P34969 2/20 0.43
DRD2 P14416 4/20 0.39
DRD4 P21917 3/20 0.39
DRD3 P35462 3/20 0.39
HSP90AA1 P07900 2/20 0.38
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34

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
SCHEMBL1830397 0.91 PNMT (0.57) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL7699409 0.89 PNMT (0.54) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL27921405 0.86 PNMT (0.49) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL29848427 0.86 PNMT (0.54) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL29368791 0.86 PNMT (0.54) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL135489 0.86 PNMT (0.54) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL7699410 0.85 PNMT (0.50) PNMTNPC1RAB9AHTR2BHTR7
Benzene SCHEMBL28021305 0.84 PNMT (0.53) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL1830400 0.84 PNMT (0.55) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL8671794 0.84 PNMT (0.55) PNMTNPC1RAB9AHTR2BHTR7

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
WO-2013078091-A1 COLLAGEN MIMETIC PEPTIDES FOR TARGETING COLLAGEN STRANDS FOR IN VITRO AND IN VIVO IMAGING AND THERAPEUTIC USE THE JOHNS HOPKINS UNIVERSITY (US) 2013-05-30 WO disclosed