SCHEMBL11249754

SCHEMBL11249754

COc1ccc(C)c(-c2ccccc2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
SYK P43405 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
ADRA2B P18089 1/20 0.39
PTGS1 P23219 1/20 0.39

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
SCHEMBL12994038 0.88 ALDH1A1 (0.45) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL11226023 0.86 FABP4 (0.37) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL28321108 0.85 ALDH1A1 (0.49) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8335880 0.84 FABP3 (0.43) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL2858584 0.81 L3MBTL1 (0.39) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL28245634 0.81 ALDH1A1 (0.41) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL15199338 0.81 L3MBTL1 (0.39) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL10177353 0.81 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL9876280 0.79 CA1 (0.50) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5599191 0.78 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101693723-B 3-tri-alkoxy phenyl dialkyl phosphine tetrafluoroborate and synthesis and application thereof UNIV ZHEJIANG 2012-09-05 CN disclosed
CN-101693723-A 3-tri-alkoxy phenyl dialkyl phosphine tetrafluoroborate and synthesis and application thereof UNIV ZHEJIANG 2010-04-14 CN disclosed
US-4318783-A Process for the preparation of optionally substituted benzaldehyde dialkyl acetals BAYER AKTIENGESELLSCHAFT (DE) 1982-03-09 US disclosed
EP-0012240-B1 PROCESS FOR MANUFACTURING OF OPTIONALLY SUBSTITUTED BENZALDEHYD-DIALKYL ACETALS BAYER AG (DE) 1982-01-20 EP disclosed
EP-0012240-A2 Process for manufacturing of optionally substituted benzaldehyd-dialkyl acetals BAYER AG (DE) 1980-06-25 EP disclosed