SCHEMBL931440

SCHEMBL931440

CCCCCNC(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.73
SMPD1 P17405 5/20 0.70
HDAC3 O15379 1/20 0.68
HDAC2 Q92769 1/20 0.68
MGLL Q99685 1/20 0.64
CNR2 P34972 2/20 0.63
ROCK2 O75116 1/20 0.63
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
TP53 P04637 1/20 0.63
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60

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
SCHEMBL3880413 0.99 POLB (0.76) POLBSMPD1HDAC3HDAC2MGLL
SCHEMBL11240645 0.99 POLB (0.76) POLBSMPD1HDAC3HDAC2MGLL
SCHEMBL11246226 0.99 POLB (0.76) POLBSMPD1HDAC3HDAC2MGLL
SCHEMBL6356934 0.95 HDAC3 (0.74) POLBSMPD1HDAC3HDAC2MGLL
Hydrochloric Acid SCHEMBL9639590 0.94 HDAC3 (0.72) POLBSMPD1HDAC3HDAC2MGLL
SCHEMBL11761148 0.92 POLB (0.84) POLBSMPD1HDAC3HDAC2ROCK2
SCHEMBL930908 0.89 ROCK2 (0.76) POLBSMPD1HDAC3HDAC2ROCK2
SCHEMBL1042188 0.89 SMPD1 (0.60) POLBSMPD1CNR2
SCHEMBL10958244 0.87 SMPD1 (0.62) POLBSMPD1MGLL
SCHEMBL2800438 0.87 SMPD1 (0.62) POLBSMPD1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015108-A1 Aqueous Buffered Fluoride-Containing Etch Residue Removers and Cleaners AIR PRODUCTS AND CHEMICALS, INC. (US) 2011-01-20 US claimed
US-7807613-B2 Aqueous buffered fluoride-containing etch residue removers and cleaners AIR PRODUCTS AND CHEMICALS, INC. (US) 2010-10-05 US claimed
US-20040266637-A1 Aqueous buffered fluoride-containing etch residue removers and cleaners VERSUM MATERIALS US, LLC 2004-12-30 US claimed
CN-1262685-A Naphthyridine derivatives OTSUKA PHARMA CO LTD (JP) 2000-08-09 CN disclosed