SCHEMBL28488559

SCHEMBL28488559

CCC(C)=CC=CC12CCC(CC1=O)C2(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 3/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
F2 P00734 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA5A P35218 2/20 0.30
CA5B Q9Y2D0 2/20 0.30

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
SCHEMBL9225690 0.76 KMT2A (0.55) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL1128206 0.72 KMT2A (0.53) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL8153357 0.70 KMT2A (0.47) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL1768748 0.69 CYP1A2 (0.40) KMT2AALDH1A1MEN1LMNAMAPT
Hydrochloric Acid SCHEMBL5512637 0.68 KMT2A (0.49) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL150729 0.67 MEN1 (0.41) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL20455791 0.67 KMT2A (0.44) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL20608413 0.66 ALDH1A1 (0.42) KMT2AALDH1A1MEN1LMNAMAPT
Camphor SCHEMBL15018460 0.65 ALDH1A1 (0.81) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL16678505 0.65 KMT2A (0.58) KMT2AALDH1A1MEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106074278-B Topical skin care formulations comprising plant extracts 玫琳凯有限公司 2020-11-27 CN disclosed