SCHEMBL3586614

SCHEMBL3586614

CC(C)(C)Oc1ccc(CC(C(N)=O)c2ccc(F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.47
EPHX1 P07099 3/20 0.47
ACACB O00763 2/20 0.43
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
PTPN1 P18031 1/20 0.39
HTT P42858 1/20 0.39
MAOB P27338 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
ADCY6 O43306 1/20 0.38
ADCY3 O60266 1/20 0.38
ADCY9 O60503 1/20 0.38
ADCY5 O95622 1/20 0.38
ADCY8 P40145 1/20 0.38
GCGR P47871 1/20 0.38
ADCY7 P51828 1/20 0.38
ADCY2 Q08462 1/20 0.38
ADCY1 Q08828 1/20 0.38

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
SCHEMBL3581799 0.87 CNR1 (0.51) CNR1EPHX1ACACBPPARGPPARA
SCHEMBL3273907 0.82 EPHX1 (0.50) EPHX1ESR1ESR2HTTADCY6
Hydrochloric Acid SCHEMBL4026086 0.81 EPHX1 (0.49) EPHX1ESR1ESR2HTTADCY6
SCHEMBL5601428 0.81 MAPT (0.47) EPHX1ACACBHTTMAOBPARP10
SCHEMBL3581268 0.78 EPHX1 (0.48) EPHX1ACACBADCY6ADCY3ADCY9
SCHEMBL3578665 0.78 EPHX1 (0.44) CNR1EPHX1MAOBPPARGPPARA
SCHEMBL21959089 0.77 EPHX1 (0.57) EPHX1ESR1ESR2HTTPARP10
SCHEMBL28151669 0.77 EPHX1 (0.77) EPHX1PPARGPPARACNR2
SCHEMBL28835702 0.77 EPHX1 (0.77) EPHX1PTPN1PPARGPPARA
SCHEMBL4946470 0.76 PTPN1 (0.52) EPHX1ACACBPTPN1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed