SCHEMBL8036313

SCHEMBL8036313

CC(C)(C)OC(=O)c1ccc(C2(F)CC2c2ccc(Cl)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
KDM1A O60341 2/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
PPARA Q07869 1/20 0.37
ALOX15 P16050 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
DRD2 P14416 2/20 0.35
PDE5A O76074 1/20 0.34
ADORA2B P29275 1/20 0.34
MAPT P10636 1/20 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
SCHEMBL8034589 0.88 RORC (0.42) KDM1ALMNACYP2C9TSHRBLM
SCHEMBL8024723 0.82 ALOX15 (0.36) KDM1ALMNACYP2C9TSHRALOX15
SCHEMBL8036360 0.80 ALOX15 (0.50) MAOAMAOBKDM1ATSHRALOX15
SCHEMBL20390885 0.77 CA1 (0.53) KMT2AMEN1TSHRPPARAALOX15
SCHEMBL8038465 0.75 RAB9A (0.48) KMT2AMEN1LMNAHPGDRAB9A
SCHEMBL8038470 0.71 POLB (0.48) KMT2AMEN1LMNAMAPTHPGD
SCHEMBL2840520 0.71 DRD2 (0.45) MAOAMAOBKDM1AKMT2ADRD2
SCHEMBL109451 0.68 CA1 (0.61) TSHRALOX15CA12CA1CA2
SCHEMBL20437077 0.68 CA12 (0.47) LMNACYP2C9ALOX15CA12CA1
SCHEMBL21496649 0.68 SMN1; SMN2 (0.42) KMT2ALMNATSHRMAPTHPGD

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-6159973-A Aromatic amides, their preparation process, the compositions containing them and their use as pesticides HOECHST SCHERING AGREVO S.A. (FR) 2000-12-12 US disclosed
US-6013837-A E.G.,4-(2-(3,4,5-TRICHLORO PHENYL) 1-FLUOROCYCLOPROPYL)-N-(2-METHYL PHENYL)BENZAMIDE; PARTICULAR USE AGAINST ARTHROPODS, HELMINTHS AND MOLLUSCS; INSECTICIDES; ACARICIDES; NEMATICIDES; PHOTOSTABILITY; NONTOXIC TO MAMMALS HOECHST MARION ROUSSEL (FR) 2000-01-11 US disclosed