SCHEMBL7974787

SCHEMBL7974787

COC1=C(OC)C(=O)C2=C(CCC(CCOc3ccccc3)CC2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.45
TEAD3 Q99594 1/20 0.45
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAOB P27338 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
NFE2L2 Q16236 1/20 0.39
HPGD P15428 2/20 0.39
ALOX12 P18054 1/20 0.38
PPARD Q03181 1/20 0.38

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
SCHEMBL7971414 0.92 PPARD (0.43) TEAD1TEAD3MAOBNFE2L2HPGD
SCHEMBL7971449 0.92 MAOB (0.44) RAB9AMAOBNFE2L2HPGDPPARD
SCHEMBL7974650 0.89 MGAT2 (0.42) MAOBNFE2L2HPGD
SCHEMBL7974962 0.88 MAOB (0.40) NPC1RAB9AMAOBNFE2L2HPGD
SCHEMBL7961502 0.88 MAOB (0.40) MAOBNFE2L2HPGD
SCHEMBL7974477 0.87 PKM (0.47) NPC1RAB9A
SCHEMBL7974398 0.86 MAOB (0.39) MAOBDRD2DRD4NFE2L2HPGD
SCHEMBL7974454 0.86 HRH3 (0.43) MAOBNFE2L2HPGDPPARD
SCHEMBL7961113 0.86 HPGD (0.42) TEAD1TEAD3MAOBNFE2L2HPGD
SCHEMBL7974340 0.85 CHRNB2 (0.44) DRD2

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-6326369-B1 ALZHEIMER'S DISEASE TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) 2001-12-04 US disclosed