SCHEMBL6150602

SCHEMBL6150602

COc1cc(C)c(C(=O)c2c(Cl)cccc2Cl)cc1Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.49
RORC P51449 3/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
THRB P10828 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
STK39 Q9UEW8 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
SCHEMBL6150594 0.89 CES2 (0.48) RORCCES2CES1LMNAKMT2A
SCHEMBL6307594 0.84 CES2 (0.46) RORCCES2CES1LMNAKMT2A
SCHEMBL6150910 0.82 RORC (0.42) RORCCES2CES1LMNAKMT2A
SCHEMBL8463397 0.81 TSHR (0.45) RORCCES2CES1LMNAMAPT
SCHEMBL8466332 0.81 RORC (0.42) RORCCES2CES1LMNAALDH1A1
SCHEMBL6149639 0.80 CXCL12 (0.49) RORCCES2CES1LMNAKMT2A
SCHEMBL6149650 0.80 RORC (0.41) RORCCES2CES1LMNAKMT2A
SCHEMBL6151108 0.79 ALDH1A1 (0.45) RORCCES2CES1LMNAKMT2A
SCHEMBL6150752 0.79 TUBB4A (0.40) RORCCES2CES1LMNAKMT2A
SCHEMBL8463650 0.79 PDE4B (0.43) RORCCES2CES1LMNAMAPT

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
EP-0727141-B1 Fungicidal methods, compounds and compositions containing benzophenones BASF AG (DE) 2005-11-02 EP disclosed
US-5922919-A Fungicidal methods, compounds and compositions containing benzophenones AMERICAN CYANAMID COMPANY (US) 1999-07-13 US disclosed
US-5866722-A Fungicidal methods compounds and compositions containing benzophenones AMERICAN CYANAMID COMPANY (US) 1999-02-02 US disclosed
US-5773663-A FOR CONTROL OF PHYTOPATHOGENIC FUNGI IN CROPS AMERICAN CYANAMID COMPANY (US) 1998-06-30 US disclosed
EP-0727141-A2 Fungicidal methods, compounds and compositions containing benzophenones American Cyanamid Company (US) 1996-08-21 EP disclosed