SCHEMBL7599536

SCHEMBL7599536

COc1cc(C)c(C(=O)c2c(C)cccc2C)c(OCc2cccc(C)c2)c1OC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
MAOB P27338 3/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
TNFRSF1A P19438 4/20 0.43
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.41
ALOX5 P09917 1/20 0.41

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
SCHEMBL6693650 0.91 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DMRGPRX4
SCHEMBL7523289 0.88 THRA (0.43) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL7602501 0.86 THRA (0.46) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL7519964 0.82 KRAS (0.47) HTR1AMAPTTDP1
SCHEMBL8465351 0.81 PDE4D (0.47) PDE4APDE4BPDE4CPDE4DHTR1A
SCHEMBL7626410 0.80 KMT2A (0.43) FFAR4TNFRSF1AMAPT
SCHEMBL7597538 0.80 KRAS (0.46) PDE4APDE4BPDE4CPDE4DTNFRSF1A
SCHEMBL7517816 0.79 ADCYAP1R1 (0.46) PDE4APDE4BPDE4CPDE4DHTR1A
SCHEMBL7044465 0.78 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DTHRA
SCHEMBL7521268 0.78 ATM (0.43) PDE4APDE4BPDE4CPDE4DMAOB

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-20020155518-A1 Method of detecting compounds that control fungal diseases via effects on sporulation BASF AKTIENGESELLSCHAFT (DE) 2002-10-24 US disclosed