SCHEMBL28909436

SCHEMBL28909436

CC(=CC12CC3CC(CC(C3)C1)C2)C(=O)OCC1CO1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MGLL Q99685 3/20 0.31
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 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
SCHEMBL25401545 0.80 LMNA (0.43) ALDH1A1CYP3A4MEN1KMT2AMAPK1
SCHEMBL3828264 0.78 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ATSHR
SCHEMBL29036371 0.77 ALDH1A1 (0.61) ALDH1A1TP53CYP3A4MGLLTSHR
SCHEMBL4416081 0.76 ALDH1A1 (0.65) ALDH1A1TP53CYP3A4MGLL
SCHEMBL147020 0.76 ALDH1A1 (0.65) ALDH1A1TP53CYP3A4MGLL
SCHEMBL28439791 0.75 HTT (0.36) ALDH1A1MEN1KMT2A
SCHEMBL2250804 0.75 ALDH1A1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL702221 0.75 GLA (0.40) ALDH1A1MEN1KMT2ATSHR
SCHEMBL7125894 0.75 GLA (0.40) ALDH1A1MEN1KMT2ATSHR
SCHEMBL27670700 0.75 ALDH1A1 (0.62) ALDH1A1TP53CYP3A4MGLL

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-115322605-A Host-guest self-repairing antifogging coating and preparation method thereof 吉林大学 2022-11-11 CN disclosed