SCHEMBL31556321

SCHEMBL31556321

COc1cc(C)c2c(c1C)CC(C)C2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.43
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NOD2 Q9HC29 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ADRA1A P35348 1/20 0.35
POLL Q9UGP5 1/20 0.35
HTR2A P28223 1/20 0.35
ATM Q13315 1/20 0.34
ACHE P22303 1/20 0.33

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
SCHEMBL9506919 0.75 ALOX5 (0.42) ALOX5MEN1KMT2AADRA1AHTR2A
SCHEMBL31556322 0.72 ACHE (0.57) ALOX5POLLACHE
SCHEMBL17014922 0.69 CYP3A4 (0.43) MEN1KMT2ANOD2ATMACHE
SCHEMBL12891538 0.67 CYP3A4 (0.56) MEN1KMT2ANOD2ATMACHE
SCHEMBL18920026 0.67 PNMT (0.41) ALOX5HTR2A
SCHEMBL8026997 0.66 KMT2A (0.44) MEN1KMT2ANOD2NPC1RAB9A
SCHEMBL1245069 0.66 ACHE (0.46) MEN1KMT2AACHE
SCHEMBL9508167 0.66 ALOX5 (0.41) ALOX5ADRA1APOLLHTR2A
SCHEMBL25647653 0.65 CYP3A4 (0.34) ALOX5HTR2A
SCHEMBL29371571 0.65 ACHE (0.40) MEN1KMT2ANPC1RAB9APOLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119978219-A Programmable light response type liquid crystal film and preparation method thereof 华南师范大学 2025-05-13 CN claimed
CN-119978219-A Programmable light response type liquid crystal film and preparation method thereof 华南师范大学 2025-05-13 CN disclosed