SCHEMBL9655150

SCHEMBL9655150

CCc1cccc2c(/C=C(\Cc3ccccc3)C(=O)O)cc(OC)c(O)c12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX5 P09917 5/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ERN1 O75460 2/20 0.38
ATM Q13315 1/20 0.36
ADORA2A P29274 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL9652510 1.00 CYP3A4 (0.41) CYP3A4CYP2C9ALOX5MEN1KMT2A
SCHEMBL8974367 0.93 ALOX5 (0.39) CYP3A4CYP2C9ALOX5MEN1KMT2A
SCHEMBL8974365 0.93 ALOX5 (0.39) CYP3A4CYP2C9ALOX5MEN1KMT2A
SCHEMBL9652527 0.89 PSEN1 (0.36) ALOX5MEN1KMT2AERN1ATM
SCHEMBL9655192 0.89 PSEN1 (0.36) ALOX5MEN1KMT2AERN1ATM
SCHEMBL9652523 0.89 PSEN1 (0.36) ALOX5MEN1KMT2AERN1ATM
SCHEMBL9652529 0.84 KMT2A (0.45) CYP3A4CYP2C9MEN1KMT2AERN1
SCHEMBL9652534 0.84 KMT2A (0.45) CYP3A4CYP2C9MEN1KMT2AERN1
SCHEMBL8974825 0.83 ERN1 (0.37) ALOX5MEN1KMT2AERN1ATM
SCHEMBL8973822 0.83 ERN1 (0.37) ALOX5MEN1KMT2AERN1ATM

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
US-5134111-A Inhibitors of interleukin-1 as antiinflammatory agents EISAI CO., LTD. (JP) 1992-07-28 US disclosed