SCHEMBL998157

SCHEMBL998157

COC(=O)c1c(C)ccc2cc3ccccc3cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NCEH1 Q6PIU2 1/20 0.44
HPGD P15428 6/20 0.44
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
SLC6A2 P23975 3/20 0.44
SLC6A3 Q01959 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SLC6A4 P31645 1/20 0.44
NR4A2 P43354 1/20 0.43
HSP90AA1 P07900 1/20 0.43
PAX8 Q06710 1/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL1648076 0.85 NCEH1 (0.59) MEN1KMT2ANCEH1HPGDALDH1A1
SCHEMBL3679271 0.84 ALDH1A1 (0.51) MEN1KMT2ANCEH1HPGDALDH1A1
SCHEMBL22534193 0.83 ALDH1A1 (0.52) MEN1KMT2ANCEH1HPGDALDH1A1
SCHEMBL28656428 0.83 ALDH1A1 (0.46) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL5068205 0.83 NCEH1 (0.54) MEN1KMT2ANCEH1HPGDALDH1A1
SCHEMBL25189746 0.82 ALDH1A1 (0.50) MEN1KMT2ANCEH1HPGDALDH1A1
SCHEMBL1546802 0.81 ALDH1A1 (0.58) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL27404692 0.81 ALDH1A1 (0.47) MEN1KMT2ANCEH1HPGDALDH1A1
SCHEMBL9863303 0.80 ALDH1A1 (0.55) MEN1KMT2ANCEH1HPGDALDH1A1
SCHEMBL10559440 0.79 ALDH1A1 (0.59) MEN1KMT2ANCEH1HPGDALDH1A1

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
EP-2272541-A1 AROMATIC AGENT COMPOSITION FOR OPENABLE STORAGE SPACE Kobayashi Pharmaceutical Co., Ltd. (JP) 2011-01-12 EP disclosed
US-7863234-B2 Liquid detergent composition KAO CORPORATION (JP) 2011-01-04 US disclosed
EP-2263700-A1 AROMATIC AGENT COMPOSITION FOR OPENABLE STORAGE SPACE Kobayashi Pharmaceutical Co., Ltd. (JP) 2010-12-22 EP disclosed
US-20090249557-A1 Liquid Detergent Composition KAO CORPORATION (JP) 2009-10-08 US disclosed
EP-1967579-A1 LIQUID DETERGENT Kao Corporation (JP) 2008-09-10 EP disclosed