SCHEMBL6149650

SCHEMBL6149650

COc1cc(C)c(C(=O)c2c(Cl)cccc2Cl)cc1OC(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
POLQ O75417 1/20 0.38
CXCL12 P48061 1/20 0.37
MAPK1 P28482 1/20 0.37

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) RORCRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL8466332 0.89 RORC (0.42) RORCRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL8466816 0.85 RORC (0.42) RORCRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL6307594 0.84 CES2 (0.46) RORCRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL7602573 0.82 TAS1R3 (0.41) RORCRAB9ASMN1; SMN2CES2CES1
SCHEMBL6150910 0.82 RORC (0.42) RORCRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL6150752 0.81 TUBB4A (0.40) RORCRAB9ANPC1MAPTKMT2A
SCHEMBL8463397 0.81 TSHR (0.45) RORCRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL8466614 0.81 PDE4B (0.44) RORCRAB9AMAPTSMN1; SMN2CES2
SCHEMBL6149639 0.80 CXCL12 (0.49) RORCRAB9ANPC1MAPTSMN1; SMN2

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-0727141-A2 Fungicidal methods, compounds and compositions containing benzophenones American Cyanamid Company (US) 1996-08-21 EP claimed
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
US-5679866-A CONTROLLING POWDERY MELDEW DISEASES AMERICAN CYANAMID COMPANY (US) 1997-10-21 US disclosed
EP-0727141-A2 Fungicidal methods, compounds and compositions containing benzophenones American Cyanamid Company (US) 1996-08-21 EP disclosed