SCHEMBL8667174

SCHEMBL8667174

CC1CCC(C(C)C)C(OC(=O)c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
ALDH1A1 P00352 5/20 0.55
HPGD P15428 3/20 0.55
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51
CYP19A1 P11511 2/20 0.48
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
KDM4E B2RXH2 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
SERPINE1 P05121 2/20 0.45
TSHR P16473 1/20 0.45
EPHX1 P07099 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL27973717 1.00 POLB (0.55) POLBALDH1A1HPGDCHRM2CHRM4
SCHEMBL260048 1.00 POLB (0.55) POLBALDH1A1HPGDCHRM2CHRM4
SCHEMBL11827575 0.88 ALDH1A1 (0.52) ALDH1A1HPGDCYP19A1PTPN2PTPN1
SCHEMBL23566376 0.86 MEN1 (0.54) POLBALDH1A1HPGDCYP19A1KDM4E
SCHEMBL18640744 0.86 MEN1 (0.54) POLBALDH1A1HPGDCYP19A1KDM4E
SCHEMBL9493633 0.85 ALDH1A1 (0.62) ALDH1A1HPGDCYP19A1KDM4ENPSR1
SCHEMBL12898142 0.84 POLB (0.55) POLBALDH1A1CHRM2CHRM4CHRM1
SCHEMBL1862739 0.84 ALDH1A1 (0.60) ALDH1A1HPGDCYP19A1KDM4ENPSR1
SCHEMBL10672814 0.83 ALDH1A1 (0.66) ALDH1A1HPGDCYP19A1KDM4ENPSR1
SCHEMBL31307177 0.83 ALDH1A1 (0.59) ALDH1A1HPGDCYP19A1PTPN2PTPN1

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
CN-104829422-A Method for splitting D,L-menthol HUNAN LIJIE BIOCHEMICAL CO LTD 2015-08-12 CN disclosed
US-5746940-A CROSSLINKED ACRYLATES FOR DISPLAY CELLS WITH ANISOTROPIC GELS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-05 US disclosed
US-5705093-A LIQUID CRYSTAL MEDIA WITH OPTICAL ACTIVITY FOR DECORATIONS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-01-06 US disclosed
EP-0167197-B1 BENZOYLUREA COMPOUNDS, AND INSECTICIDAL AND ACARICIDAL COMPOSITIONS COMPRISING SAME DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1989-01-18 EP disclosed