SCHEMBL9820904

SCHEMBL9820904

CCCCCCCCCCCCC1CCCC(C(=O)[O-])C1.CCCCCCCCCCCCC1CCCC(C(=O)[O-])C1.CCCCCCCCCCCCC1CCCC(C(=O)[O-])C1.CCCCCCCCCCCCC1CCCC(C(=O)[O-])C1.CCCCCCCCCCCCC1CCCC(C(=O)[O-])C1.CCCCCCCCCCCCC1CCCC(C(=O)[O-])C1.[Mo+6]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
NAAA Q02083 2/20 0.40
CYP1A2 P05177 2/20 0.39
EPHX1 P07099 4/20 0.39
BCHE P06276 2/20 0.38
ALOX5 P09917 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
CCR2 P41597 1/20 0.37
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
S1PR2 O95136 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35

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
SCHEMBL9820920 0.97 MEN1 (0.40) MEN1HTTKMT2ANAAACYP1A2
SCHEMBL849434 0.84 ANPEP (0.45) MEN1HTTKMT2ANAAACYP1A2
SCHEMBL11593168 0.84 ANPEP (0.45) MEN1HTTKMT2ANAAACYP1A2
SCHEMBL10689965 0.84 ANPEP (0.45) MEN1HTTKMT2ANAAACYP1A2
SCHEMBL9820911 0.83 ANPEP (0.44) MEN1HTTKMT2ANAAACYP1A2
SCHEMBL28827341 0.82 ALOX5 (0.43) MEN1HTTKMT2ACYP1A2ALOX5
SCHEMBL23533387 0.80 ALOX5 (0.41) MEN1HTTKMT2ACYP1A2ALOX5
SCHEMBL28427322 0.79 CYP1A2 (0.47) HTTNAAACYP1A2EPHX1BCHE
SCHEMBL6139215 0.77 CYP1A2 (0.56) MEN1HTTKMT2ACYP1A2EPHX1
SCHEMBL11665042 0.77 CYP1A2 (0.56) MEN1HTTKMT2ACYP1A2EPHX1

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