SCHEMBL5447643

SCHEMBL5447643

C=Cc1ccc(C(=O)OC2CC(C)CCC2C(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
HPGD P15428 3/20 0.56
CYP19A1 P11511 2/20 0.49
NPSR1 Q6W5P4 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.46
EPHX1 P07099 2/20 0.45
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
TRPV1 Q8NER1 1/20 0.42
LMNA P02545 1/20 0.42
ACLY P53396 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL14254738 1.00 ALDH1A1 (0.56) ALDH1A1HPGDCYP19A1NPSR1KDM4E
SCHEMBL30273375 0.90 ALDH1A1 (0.58) ALDH1A1HPGDCYP19A1NPSR1KDM4E
SCHEMBL14844392 0.88 ALDH1A1 (0.48) ALDH1A1HPGDCYP19A1NPSR1KDM4E
SCHEMBL16036976 0.88 ALDH1A1 (0.48) ALDH1A1HPGDCYP19A1NPSR1KDM4E
SCHEMBL17836855 0.88 ALDH1A1 (0.48) ALDH1A1HPGDCYP19A1NPSR1KDM4E
SCHEMBL9493633 0.86 ALDH1A1 (0.62) ALDH1A1HPGDCYP19A1NPSR1KDM4E
SCHEMBL5450637 0.85 ALDH1A1 (0.58) ALDH1A1HPGDCYP19A1NPSR1KDM4E
SCHEMBL1862739 0.85 ALDH1A1 (0.60) ALDH1A1HPGDCYP19A1NPSR1KDM4E
SCHEMBL13560801 0.84 ALDH1A1 (0.57) ALDH1A1HPGDCYP19A1NPSR1KDM4E
SCHEMBL10672814 0.84 ALDH1A1 (0.66) ALDH1A1HPGDCYP19A1NPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9028694-B2 Non-particulate organic porous material having optical resolution capability and method for manufacturing same ORGANO CORPORATION (JP) 2015-05-12 US disclosed
US-20140256834-A1 NON-PARTICULATE ORGANIC POROUS MATERIAL HAVING OPTICAL RESOLUTION CAPABILITY AND METHOD FOR MANUFACTURING SAME ORGANO CORPORATION (JP) 2014-09-11 US disclosed
US-8764979-B2 Non-particulate organic porous material having optical resolution capability and method for manufacturing same ORGANO CORPORATION (JP) 2014-07-01 US disclosed
US-20070155860-A1 macropores being interconnected forming mesopores with a radius of 0.01-100 mu m in the interconnected parts; an adsorbent for separating enantiomers in the pharmaceutical industry; homopolymer or copolymer of divinylbenzene ORGANO CORPORATION (JP) 2007-07-05 US disclosed
US-20050155927-A1 macropores being interconnected forming mesopores with a radius of 0.01-100 mu m in the interconnected parts; an adsorbent for separating enantiomers in the pharmaceutical industry; homopolymer or copolymer of divinylbenzene ORGANO CORPORATION (JP) 2005-07-21 US disclosed