SCHEMBL7517816

SCHEMBL7517816

COc1cc(C)c(C(=O)c2c(Cl)cccc2OC)c(OCc2ccccc2)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCYAP1R1 P41586 1/20 0.46
PDE4D Q08499 2/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
MRGPRX4 Q96LA9 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MITF O75030 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
XBP1 P17861 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL8465351 0.96 PDE4D (0.47) ADCYAP1R1PDE4DPDE4APDE4BPDE4C
SCHEMBL7521268 0.93 ATM (0.43) ADCYAP1R1PDE4DPDE4APDE4BPDE4C
SCHEMBL7523289 0.92 THRA (0.43) PDE4DPDE4APDE4BPDE4CHTR1A
SCHEMBL7524004 0.92 ALDH1A1 (0.42) ADCYAP1R1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7602839 0.88 ALDH1A1 (0.42) ADCYAP1R1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6693650 0.88 PDE4A (0.52) PDE4DPDE4APDE4BPDE4CMRGPRX4
SCHEMBL6742658 0.86 KCNB1 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1NPSR1
SCHEMBL7520130 0.85 MAPT (0.51) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL7518830 0.83 L3MBTL1 (0.41) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7523163 0.83 L3MBTL1 (0.40) MEN1KMT2ARAB9AHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0897904-B1 Fungicidal 2-methoxybenzophenones BASF AG (DE) 2002-02-20 EP claimed
US-5945567-A Fungicidal 2-methoxybenzophenones AMERICAN CYANAMID COMPANY (US) 1999-08-31 US claimed
EP-0897904-A1 Fungicidal 2-methoxybenzophenones American Cyanamid Company (US) 1999-02-24 EP claimed
EP-0897904-B1 Fungicidal 2-methoxybenzophenones BASF AG (DE) 2002-02-20 EP disclosed
US-6001883-A SUBSTITUTED BENZOPHENONES OF GIVEN FORMULA, SUCH AS 6,6'-DIMETHYL-2,2',3',4'-TETRAMETHOXY-5-TRIFLUOROMETHYL-BENZOPHENONE; HIGHLY SYSTEMIC FUNGICIDES; CONTROLLING FUNGAL DISEASE SUCH AS POWDERY MILDEW IN PLANTS AMERICAN CYANAMID COMPANY (US) 1999-12-14 US disclosed
US-5945567-A Fungicidal 2-methoxybenzophenones AMERICAN CYANAMID COMPANY (US) 1999-08-31 US disclosed
US-5922905-A INTERMEDIATES FOR FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1999-07-13 US disclosed