SCHEMBL4989431

SCHEMBL4989431

C/C=C/COCC1CCCCC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
CA4 P22748 5/20 0.38
CA6 P23280 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 2/20 0.35
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
LMNA P02545 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
PTGS1 P23219 3/20 0.31

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
SCHEMBL3370 0.80 ALDH1A1 (0.39) CA1CA2CA4CA6NPC1
SCHEMBL18224272 0.78 NOS1 (0.45) CA1CA2CA4CA6NPC1
SCHEMBL24829920 0.78 NOS1 (0.45) CA1CA2CA4CA6NPC1
SCHEMBL27953389 0.76 KMT2A (0.44) CA1CA2CA4CA6NPC1
SCHEMBL24433004 0.76 KMT2A (0.44) CA1CA2CA4CA6NPC1
SCHEMBL27942666 0.76 KMT2A (0.44) CA1CA2CA4CA6NPC1
SCHEMBL1134441 0.75 CA1 (0.41) CA1CA2CA4CA6NPC1
SCHEMBL3437946 0.73 CA1 (0.49) CA1CA2CA4CA6NPC1
SCHEMBL23374493 0.69 NPC1 (0.45) CA1CA2CA4CA6NPC1
SCHEMBL1134400 0.69 CA1 (0.42) CA1CA2CA4CA6NPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378232-B2 Assay for melanogenesis NEW YORK UNIVERSITY (US) 2008-05-27 US disclosed
EP-1501928-A4 ASSAY FOR MELANOGENESIS UNIV NEW YORK (US) 2007-08-15 EP disclosed
EP-1501928-A1 ASSAY FOR MELANOGENESIS NEW YORK UNIVERSITY (US) 2005-02-02 EP disclosed
US-20040038328-A1 Assay for melanogenesis NEW YORK UNIVERSITY 2004-02-26 US disclosed
WO-2003095645-A1 ASSAY FOR MELANOGENESIS NEW YORK UNIVERSITY (US) 2003-11-20 WO disclosed