SCHEMBL9820911

SCHEMBL9820911

CCCCCCCCCCCCC1CCCC(C(=O)O)C1.[Mo]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.44
ALOX5 P09917 1/20 0.42
TP53 P04637 1/20 0.42
NAAA Q02083 1/20 0.41
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
EPHX1 P07099 2/20 0.40
PKM P14618 1/20 0.38
S1PR3 Q99500 3/20 0.38
BTK Q06187 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CCR2 P41597 1/20 0.38
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 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
SCHEMBL11593168 0.98 ANPEP (0.45) ANPEPALOX5TP53NAAAMEN1
SCHEMBL10689965 0.98 ANPEP (0.45) ANPEPALOX5TP53NAAAMEN1
SCHEMBL849434 0.98 ANPEP (0.45) ANPEPALOX5TP53NAAAMEN1
SCHEMBL848937 0.92 CYP1A2 (0.48) ANPEPNAAAHTTCYP1A2CYP4F2
SCHEMBL17065550 0.88 TP53 (0.51) ALOX5TP53MEN1HTTKMT2A
SCHEMBL849696 0.84 ANPEP (0.50) ANPEPCYP1A2CYP4F2CYP4A11BTK
SCHEMBL1882459 0.83 ALOX5 (0.50) ALOX5TP53MEN1HTTKMT2A
SCHEMBL8774017 0.83 ALOX5 (0.50) ALOX5TP53MEN1HTTKMT2A
SCHEMBL9820920 0.83 MEN1 (0.40) ALOX5TP53NAAAMEN1HTT
SCHEMBL9820904 0.83 MEN1 (0.40) ALOX5TP53NAAAMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279090-B1 GASOLINE COMPOSITIONS CONTAINING HEXAVALENT MOLYBDENUM AMOCO CORPORATION (US) 1991-11-27 EP disclosed
US-4647293-A Gasoline compositions containing hexavalent molybdenum Magidson, William H. (US) 1987-03-03 US disclosed