SCHEMBL28016181

SCHEMBL28016181

O=C(OC(=O)c1ccccc1OC(F)(F)F)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.54
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
PNLIP P16233 1/20 0.47
ANO1 Q5XXA6 2/20 0.45
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD11B1 P28845 1/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
NR1I2 O75469 1/20 0.42
TP53 P04637 1/20 0.42
AHR P35869 1/20 0.42
RAB9A P51151 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
KCNK3 O14649 3/20 0.40

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
SCHEMBL28016834 0.88 HSD11B1 (0.52) MGLLCYP11B1CYP11B2NPC1SMN1; SMN2
SCHEMBL20561090 0.88 SLC6A3 (0.47) MGLLCYP11B1CYP11B2MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL28016225 0.87 SLC6A3 (0.46) MGLLCYP11B1CYP11B2MAPTSMN1; SMN2
SCHEMBL20561089 0.86 KCNK3 (0.49) MGLLCYP11B1CYP11B2PNLIPHSD11B1
Chlorobenzene SCHEMBL28024378 0.82 CYP11B1 (0.49) MGLLCYP11B1CYP11B2PNLIPANO1
SCHEMBL28024425 0.77 KCNK3 (0.46) MGLLCYP11B1CYP11B2PNLIPANO1
SCHEMBL6852259 0.77 HPGD (0.60) MGLLNPC1MAPTSMN1; SMN2LMNA
SCHEMBL23014496 0.75 PNLIP (0.51) MGLLCYP11B1CYP11B2PNLIPANO1
SCHEMBL29111430 0.74 UTS2R (0.48) MGLLNPC1MAPTSMN1; SMN2LMNA
SCHEMBL247591 0.74 CES2 (0.65) NPC1MAPTSMN1; SMN2LMNAKMT2A

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
CN-104800228-A Applications of O-benzoyl-(4-trifluoromethyl) salicylamide compound in preparing drugs used for treating intestinal cancer HANGZHOU MINSHENG PHARM GROUP 2015-07-29 CN disclosed
CN-104800227-A Applications of O-benzoyl-(4-trifluoromethyl) salicylamide compound in preparing drugs used for treating lung cancer HANGZHOU MINSHENG PHARM GROUP 2015-07-29 CN disclosed