SCHEMBL7715248

SCHEMBL7715248

CC(C)(C)OC(=O)N1[CH]CC(O)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
NR1H2 P55055 1/20 0.38
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
ELANE P08246 1/20 0.33
PREP P48147 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL1199121 0.75 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL27029900 0.71 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL17593200 0.71 PREP (0.49) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL9131058 0.71 CHRM2 (0.52) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL216412 0.71 NR1H2 (0.56) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL20265001 0.71 USP2 (0.46) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL27866228 0.70 NR1H2 (0.35) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL28493671 0.69 NR1H2 (0.50) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL7970964 0.69 CHRM2 (0.39) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL29081477 0.69 NR1H2 (0.36) CHRM2CHRM1CHRM3NR1H2USP2

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
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO disclosed