SCHEMBL13992157

SCHEMBL13992157

Cc1cc(CCC(O)O)c(C)o1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.46
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PTGER4 P35408 1/20 0.33
RAB9A P51151 1/20 0.32
HPGD P15428 1/20 0.31
TYR P14679 2/20 0.31
APEX1 P27695 1/20 0.30

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
SCHEMBL10994748 0.74 ALOX5 (0.35) ALOX5
SCHEMBL4304870 0.74 ALOX5 (0.43) ALOX5MAPTKDM4EHPGD
SCHEMBL7504652 0.72 ALOX5 (0.46) ALOX5MAPTKDM4EAPEX1
SCHEMBL3100001 0.72
SCHEMBL16883900 0.71 ALOX5 (0.41) ALOX5MAPTKDM4ENPSR1RAB9A
SCHEMBL10991636 0.71 ALOX5 (0.33) ALOX5
SCHEMBL13992152 0.71 NPSR1 (0.57) ALOX5MAPTKDM4ENPSR1PTGER4
SCHEMBL3031292 0.69
SCHEMBL23385535 0.68 ALOX5 (0.55) ALOX5MAPTKDM4ERAB9A
SCHEMBL9193423 0.68 ALOX5 (0.42) ALOX5MAPTKDM4ERAB9A

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
US-20080299669-A1 Methods and devices for analytical sensing of biogenic amines SOUTH CAROLINA, UNIVERSITY OF 2008-12-04 US disclosed