SCHEMBL7160621

SCHEMBL7160621

COC(=O)C1(C2CO2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
BCHE P06276 2/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL30110932 0.74 CHRM1 (0.33) NPSR1LMNA
SCHEMBL30110929 0.74 CHRM1 (0.33) NPSR1LMNA
SCHEMBL3669479 0.73 NPSR1 (0.39) NPSR1MAPTLMNACYP3A4CYP2C9
SCHEMBL17893287 0.73 NPSR1 (0.39) NPSR1MAPTLMNACYP3A4CYP2C9
SCHEMBL12302970 0.71 NPSR1 (0.38) NPSR1MAPTLMNACYP4F2CYP4A11
SCHEMBL15313393 0.70 NPSR1 (0.41) NPSR1MAPTLMNACYP3A4CYP4F2
SCHEMBL11785043 0.69
SCHEMBL3926408 0.68 NPSR1 (0.40) NPSR1MAPTLMNACYP3A4CYP2C9
SCHEMBL28641362 0.68 CYP3A4 (0.34) NPSR1LMNACYP3A4CYP2C9CYP2C19
SCHEMBL10256656 0.68 CYP3A4 (0.47) NPSR1MAPTLMNACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307495-A2 POLYURETHANE HOTMELT ADHESIVES WITH ACRYLIC COPOLYMERS AND THERMOPLASTIC RESINS National Starch and Chemical Investment Holding Corporation (US) 2003-05-07 EP disclosed
US-6482878-B1 Polyurethane hotmelt adhesives with acrylic copolymers and thermoplastic resins NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION 2002-11-19 US disclosed
WO-2001081495-A2 POLYURETHANE HOTMELT ADHESIVES WITH ACRYLIC COPOLYMERS AND THERMOPLASTIC RESINS NATIONAL STARCH & CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2001-11-01 WO disclosed