SCHEMBL24949032

SCHEMBL24949032

CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)c1cccc(C(C)(C)c2ccc(Oc3ccc4c(c3)C(=O)OC4=O)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
ATM Q13315 1/20 0.38
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 1/20 0.36
CYP2C9 P11712 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL15695721 0.96 MAOA (0.43) ESR1ESR2MAOAMAOBATM
SCHEMBL24510001 0.94 MAOA (0.43) ESR1ESR2MAOAMAOBATM
SCHEMBL29395934 0.94 MAOA (0.45) MAOAMAOBATMPOLBMAPT
SCHEMBL74437 0.94 MAOA (0.45) MAOAMAOBATMPOLBMAPT
SCHEMBL1501421 0.93 MAOA (0.49) ESR1ESR2MAOAMAOBPOLB
SCHEMBL17886096 0.91 MAOA (0.43) MAOAMAOBATMPOLBMAPT
SCHEMBL22394445 0.90 MAOA (0.42) MAOAMAOBATMPOLBMAPT
SCHEMBL22180791 0.89 MAOB (0.41) MAOAMAOBPOLBMAPTTDP1
SCHEMBL22215240 0.89 MEN1 (0.43) MAOAMAOBPOLBMAPTTDP1
SCHEMBL525868 0.88 ATM (0.50) MAOAMAOBATMPOLBMAPT

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-20230032881-A1 ACTIVE ENERGY RAY POLYMERIZATION INITIATOR, ACTIVE ENERGY RAY CURING COMPOSITION, ACTIVE ENERGY RAY CURING INK, AQUEOUS ACTIVE ENERGY RAY CURING INK, CONTAINER, IMAGE FORMING DEVICE, IMAGE FORMING METHOD, AND METHOD OF MANUFACTURING ACTIVE ENERGY RAY POLYMERIZATION INITIATOR RICOH COMPANY, LTD. (JP) 2023-02-02 US disclosed