SCHEMBL11320172

SCHEMBL11320172

CN1C(C)(C)CCC(OC(=O)c2ccc(C(C)(C)C)cc2)C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 5/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 2/20 0.38
ALOX15 P16050 1/20 0.38
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BCHE P06276 2/20 0.36
GRIN2B Q13224 1/20 0.35
RAB9A P51151 1/20 0.35
TNF P01375 1/20 0.35
KLF5 Q13887 1/20 0.35
NOD1 Q9Y239 1/20 0.35

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
SCHEMBL16267516 0.81 KMT2A (0.39) KMT2AMAPTMAPK1MEN1SMN1; SMN2
SCHEMBL10789941 0.79 MEN1 (0.43) KMT2AMAPTMAPK1MEN1ALDH1A1
SCHEMBL9869396 0.76 TSHR (0.50) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL17931092 0.74 HTT (0.44) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL15607733 0.72 MAPT (0.56) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL1433609 0.72 SCN1A (0.41) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL3722353 0.71 TSHR (0.47) KMT2AMAPTMAPK1MEN1SCN1A
SCHEMBL26807768 0.71 PTPN2 (0.46) KMT2AMAPTMAPK1ALDH1A1SCN1A
SCHEMBL9370902 0.71 TSHR (0.47) KMT2AMAPTMAPK1MEN1SCN1A
SCHEMBL316935 0.71 GAA (0.52) KMT2AMAPTMEN1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0007502-B1 PROCESS FOR PREPARING FOAMED MOULDED MATERIALS BAYER AG (DE) 1981-12-30 EP disclosed
US-4263408-A Process for the production of molded foams BAYER AKTIENGESELLSCHAFT (DE) 1981-04-21 US disclosed
US-4189542-A Process for the production of foam moldings having an impervious outer skin using semi-prepolymer prepared from isocyanates such as isophorone diisocyanate BAYER AKTIENGESELLSCHAFT (DE) 1980-02-19 US disclosed
EP-0007502-A1 Process for preparing foamed moulded materials BAYER AG (DE) 1980-02-06 EP disclosed
EP-0001965-A1 Process for the preparation of foamed materials BAYER AG (DE) 1979-05-30 EP disclosed
US-4123418-A BIS-(U8I8I8L8L-PENTAMETHY TETRAMETHYL-4-PIPERIDYL)-SUBERATE CIBA-GEIGY CORPORATION (US) 1978-10-31 US disclosed
US-4110304-A STERICALLY HINDERED CYCLIC AMINE CIBA-GEIGY CORPORATION (US) 1978-08-29 US disclosed