SCHEMBL9330955

SCHEMBL9330955

CCCCCCCC[C](O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.61
CES1 P23141 3/20 0.61
PTGS2 P35354 2/20 0.52
NAAA Q02083 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
EPHX2 P34913 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6885362 0.91 PTGS2 (0.61) CES2CES1PTGS2NAAAL3MBTL1
SCHEMBL98927 0.83 CES2 (0.61) CES2CES1PTGS2NAAAL3MBTL1
SCHEMBL10354085 0.83 CES2 (0.61) CES2CES1PTGS2NAAAL3MBTL1
SCHEMBL98487 0.83 CES2 (0.61) CES2CES1PTGS2NAAAL3MBTL1
SCHEMBL11595706 0.83 CES2 (0.61) CES2CES1PTGS2NAAAL3MBTL1
SCHEMBL98640 0.83 CES2 (0.61) CES2CES1PTGS2NAAAL3MBTL1
SCHEMBL9008382 0.83 CES2 (0.61) CES2CES1PTGS2NAAAL3MBTL1
SCHEMBL98397 0.83 CES2 (0.61) CES2CES1PTGS2NAAAL3MBTL1
SCHEMBL3419748 0.83 CES2 (0.61) CES2CES1PTGS2NAAAL3MBTL1
SCHEMBL4185181 0.83 CES2 (0.61) CES2CES1PTGS2NAAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0400311-B1 Metal recovery with monothiophosphinic acids CANADA CYANAMID (CA) 1994-03-30 EP disclosed
US-5028403-A Extraction from aqueous solution AMERICAN CYANAMID COMPANY (US) 1991-07-02 US disclosed
EP-0400311-A2 Metal recovery with monothiophosphinic acids CYANAMID CANADA INC. (CA) 1990-12-05 EP disclosed
US-4801729-A BORON CONTAINING HETEROCYCLIC COMPOUND UNION OIL COMPANY OF CALIFORNIA (US) 1989-01-31 US disclosed
US-4721605-A Selective removal of metals from aqueous solutions with dithiophosphinic acids AMERICAN CYANAMID COMPANY (US) 1988-01-26 US disclosed
US-4629580-A REACTING AMINE, AROMATIC OXIDE AND BORIC ACID UNION OIL COMPANY OF CALIFORNIA (US) 1986-12-16 US disclosed
US-4627930-A Boron-containing heterocyclic compounds and lubricating oil containing same UNION OIL COMPANY OF CALIFORNIA (US) 1986-12-09 US disclosed
US-4382016-A ORGANIC PHOSPHINIC ACID AMERICAN CYANAMID COMPANY (US) 1983-05-03 US disclosed