SCHEMBL6653541

SCHEMBL6653541

Nc1ccc(C(=O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.68
PTGS1 P23219 6/20 0.66
CES2 O00748 2/20 0.59
CES1 P23141 2/20 0.59
KIF11 P52732 1/20 0.59
EPHX2 P34913 1/20 0.53
GSK3B P49841 2/20 0.50
PTPN1 P18031 1/20 0.50
CYP2C8 P10632 1/20 0.47

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
SCHEMBL648641 0.89 SRD5A2 (0.83) SRD5A2CES2CES1EPHX2GSK3B
Hydrochloric Acid SCHEMBL27733522 0.87 SRD5A2 (0.79) SRD5A2CES2CES1EPHX2GSK3B
SCHEMBL8762089 0.84 PTGS1 (0.49) SRD5A2PTGS1CES2CES1KIF11
SCHEMBL13410662 0.83 SRD5A2 (0.73) SRD5A2CES2CES1KIF11EPHX2
SCHEMBL28000964 0.83 SRD5A2 (0.73) SRD5A2CES2CES1KIF11EPHX2
SCHEMBL4979512 0.82 SRD5A2 (0.73) SRD5A2PTGS1CES2
SCHEMBL30438832 0.82 KIF11 (0.84) PTGS1CES2CES1KIF11
SCHEMBL27948267 0.82 KIF11 (0.84) PTGS1CES2CES1KIF11
SCHEMBL10302 0.82 KIF11 (0.84) PTGS1CES2CES1KIF11
SCHEMBL9097535 0.82 CA12 (0.59) SRD5A2

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-0966424-B1 AMINOBENZOPHENONES AS INHIBITORS OF INTERLEUKIN AND TNF LEO PHARMA AS (DK) 2004-06-23 EP disclosed
US-6313174-B1 FOR THERAPY AND PROPHYLAXIS OF ASTHMA, ALLERGY, RHEUMATOID ARTHRITIS, SPONDYLOARTHRITIS, GOUT, ATHEROSCLEROSIS, CHRONIC INFLAMMATORY BOWEL DISEASE, PROLIFERATIVE AND INFLAMMATORY SKIN DISORDERS Leo Pharmaceutical Products Ltd.A/S/ (Løvens kemiske Fabrik Produktionsaktieselskab) (DK) 2001-11-06 US disclosed
EP-0966424-A1 AMINOBENZOPHENONES AS INHIBITORS OF INTERLEUKIN AND TNF LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1999-12-29 EP disclosed
WO-1998032730-A1 AMINOBENZOPHENONES AS INHIBITORS OF INTERLEUKIN AND TNF Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1998-07-30 WO disclosed
EP-0012435-A2 Isoxazole derivatives, process for their preparation, medicines containing them and intermediates required in this process HOECHST AKTIENGESELLSCHAFT (DE) 1980-06-25 EP disclosed
US-4026697-A HERBICIDES AMERICAN CYANAMID COMPANY (US) 1977-05-31 US disclosed
US-3988300-A FOR CONTROLLING BROADLEAF WEEDS AND GRASSES AMERICAN CYANAMID COMPANY (US) 1976-10-26 US disclosed