SCHEMBL9358347

SCHEMBL9358347

CN1C(C)(C)CC(O)C(Cc2ccco2)C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MAPT P10636 2/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 3/20 0.36
GBA1 P04062 1/20 0.35
NPC1 O15118 1/20 0.35
HSD11B1 P28845 1/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 2/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL9358209 0.77 LMNA (0.38) ALDH1A1MAPTGBA1KMT2ATSHR
SCHEMBL9358363 0.76 NR1H4 (0.35) ALDH1A1MAPT
SCHEMBL9358629 0.74 ALOX15 (0.48) ALDH1A1MAPTCYP2C19POLBGBA1
SCHEMBL9358356 0.74 GBA1 (0.36) GBA1KMT2AGAA
SCHEMBL9358391 0.73 TRPA1 (0.40) GBA1GAA
SCHEMBL9358568 0.71 RBP4 (0.31)
SCHEMBL11145337 0.71 LMNA (0.35)
SCHEMBL9358293 0.70 ALDH1A1 (0.36) ALDH1A1HSD11B1KMT2AHPGDKDM4E
SCHEMBL10582848 0.65 GAA (0.38) ALDH1A1GAAKDM4E
SCHEMBL9358658 0.62 ALDH1A1 (0.32) ALDH1A1GBA1

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
EP-0518197-B1 Piperidine derivatives MITSUBISHI PETROCHEMICAL CO (JP) 1994-12-21 EP disclosed
US-5260443-A For polyolefin films MITSUBISHI PETROCHEMICAL COMPANY LIMITED (JP) 1993-11-09 US disclosed
EP-0518197-A1 Piperidine derivatives Mitsubishi Chemical Corporation (JP) 1992-12-16 EP disclosed