SCHEMBL11106295

SCHEMBL11106295

O=C(O)CC1Oc2ccc(C(F)(F)F)cc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.43
ATM Q13315 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGDR2 Q9Y5Y4 4/20 0.42
PPIA P62937 1/20 0.40
FFAR1 O14842 3/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 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
SCHEMBL11109275 0.89 MEN1 (0.42) ATMMEN1KMT2APTGDR2PPIA
SCHEMBL11105058 0.84 CYP1A2 (0.42) ATMMEN1KMT2APTGDR2PPIA
SCHEMBL11110129 0.83 APEX1 (0.47) APEX1ATMPPIA
SCHEMBL11113459 0.81 APEX1 (0.51) APEX1ATMMEN1KMT2ACYP2C9
SCHEMBL11111155 0.81 APEX1 (0.47) APEX1ATMPTGDR2
Hydrochloric Acid SCHEMBL11108436 0.81 CYP1A2 (0.39) ATMMEN1KMT2APPIACYP2C9
SCHEMBL11109355 0.81 MEN1 (0.43) ATMMEN1KMT2APTGDR2PPIA
SCHEMBL11108113 0.78 POLB (0.39) MEN1KMT2APTGDR2CYP2C9CYP1A2
SCHEMBL11101143 0.78 PPIA (0.42) ATMMEN1KMT2APTGDR2PPIA
SCHEMBL11107174 0.78 ATM (0.69) APEX1ATMMEN1KMT2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4463001-A ANTIULCER AGENTS FARMITALIA CARLO ERBA S.P.A. (IT) 1984-07-31 US disclosed