SCHEMBL7112976

SCHEMBL7112976

COc1cc(C)c(C(=O)c2c(OC(=O)C(C)(C)C)ccc(Cl)c2C)c(OC)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.37
MAPT P10636 3/20 0.35
CYP3A4 P08684 3/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
GFER P55789 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TOP1 P11387 1/20 0.35
TUBB4A P04350 2/20 0.34
TUBB P07437 2/20 0.34
TUBA3C P0DPH7 2/20 0.34
TUBA1B P68363 2/20 0.34
TUBA4A P68366 2/20 0.34
TUBB4B P68371 2/20 0.34
TUBB3 Q13509 2/20 0.34
TUBB2A Q13885 2/20 0.34
TUBB8 Q3ZCM7 2/20 0.34

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
SCHEMBL3767546 0.88 TOP1 (0.40) MAPTCYP3A4MEN1POLBHPGD
SCHEMBL6857968 0.87 POLB (0.44) MAPTCYP3A4MEN1POLBHPGD
SCHEMBL6859535 0.86 ELANE (0.37) ELANEMAPTCYP3A4MEN1POLB
SCHEMBL5610704 0.84 ALDH1A1 (0.44) MAPTCYP3A4MEN1POLBHPGD
SCHEMBL6738733 0.83 ALDH1A1 (0.40) MAPTCYP3A4MEN1POLBHPGD
SCHEMBL7110651 0.82 ELANE (0.43) ELANEMAPTKMT2ANPSR1TUBB4A
SCHEMBL1850970 0.81 MAPT (0.39) MAPTCYP3A4MEN1POLBHPGD
SCHEMBL7524397 0.80 TUBB4A (0.38) MAPTCYP3A4MEN1POLBHPGD
SCHEMBL6743080 0.79 PDE4D (0.42) MAPTTOP1TUBB4ATUBBTUBA3C
SCHEMBL7525724 0.78 MAPT (0.41) MAPTCYP3A4MEN1POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0967196-B1 Substituted 2-hydroxybenzophenones, preparation thereof, their use as fungicide and their fungicidal compositions BASF AG (DE) 2003-10-22 EP claimed
EP-0967196-A2 Substituted 2-hydroxybenzophenones, preparation thereof, their use as fungicide and their fungicidal compositions American Cyanamid Company (US) 1999-12-29 EP claimed
US-6576595-B1 Potent activity BASF AKTIENGESELLSCHAFT (DE) 2003-06-10 US disclosed
EP-1295877-A1 Xanthone derivatives, preparation processes thereof, their use as fungicides and compositions containing them BASF AKTIENGESELLSCHAFT (DE) 2003-03-26 EP disclosed