SCHEMBL9358596

SCHEMBL9358596

CC1(C)CC(O)C(Cc2ccccc2)C(C)(C)N1C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.43
CYP3A4 P08684 4/20 0.43
TSHR P16473 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
HTT P42858 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL9362699 0.87 ALDH1A1 (0.44) ABCB1CYP3A4TSHRMEN1KMT2A
SCHEMBL9358209 0.81 LMNA (0.38) CYP3A4TSHRMEN1KMT2AALDH1A1
SCHEMBL9358198 0.81 CYP3A4 (0.41) CYP3A4TSHRALDH1A1
SCHEMBL9003125 0.70 ACHE (0.42) CYP3A4TSHRMEN1KMT2AALDH1A1
SCHEMBL9358391 0.69 TRPA1 (0.40)
SCHEMBL9307823 0.67 TSHR (0.49) CYP3A4TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL16400504 0.67 ALDH1A1 (0.39) ABCB1CYP3A4TSHRMEN1KMT2A
SCHEMBL27690100 0.66 TSHR (0.67) CYP3A4TSHRMEN1KMT2AALDH1A1
SCHEMBL9358293 0.66 ALDH1A1 (0.36) CYP3A4MEN1KMT2AALDH1A1HSD17B10
SCHEMBL11694221 0.65 MAPK1 (0.43) CYP3A4TSHRMEN1KMT2AHTT

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
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
US-5189172-A Useful as photostabilizer or as intermediates for pharmaceuticals and agricultural chemicals MITSUBISHI PETROCHEMICAL COMPANY LIMITED (JP) 1993-02-23 US disclosed
EP-0518197-A1 Piperidine derivatives Mitsubishi Chemical Corporation (JP) 1992-12-16 EP disclosed