SCHEMBL11353085

SCHEMBL11353085

CCOC(=O)Cc1ccc(CCNC(=O)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
POLB P06746 1/20 0.61
TP53BP1 Q12888 1/20 0.53
HRH3 Q9Y5N1 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
F2 P00734 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ESRRG P62508 1/20 0.47
CDK8 P49336 1/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.46

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
SCHEMBL11368205 0.84 POLB (0.62) ALDH1A1POLBTP53BP1HRH3NPC1
SCHEMBL3243689 0.81 ALDH1A1 (0.68) ALDH1A1POLBTP53BP1NPC1RAB9A
SCHEMBL11623180 0.81 ALDH1A1 (0.54) ALDH1A1POLBTP53BP1HRH3NPC1
SCHEMBL10462319 0.81 AKR1C3 (0.50) ALDH1A1POLBNPSR1CYP2C9CYP2C19
SCHEMBL11481078 0.79 ALDH1A1 (0.62) ALDH1A1POLBTP53BP1HRH3NPC1
SCHEMBL28063257 0.78 MAPT (0.64) ALDH1A1POLBHRH3NPC1RAB9A
SCHEMBL701131 0.77 ALDH1A1 (0.61) ALDH1A1POLBNPSR1MEN1HTT
SCHEMBL6360091 0.77 POLB (1.00) ALDH1A1POLBTP53BP1HDAC3HDAC1
SCHEMBL8029023 0.77 HDAC3 (0.60) ALDH1A1POLBTP53BP1HDAC3HDAC1
SCHEMBL11365241 0.76 MAPT (0.63) ALDH1A1POLBNPC1RAB9ACYP1A2

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-4278680-A Hypoglycaemically and hypolipidaemically active derivatives of phenylacetic acid BOEHRINGER MANNHEIM GMBH (DE) 1981-07-14 US disclosed
US-4207341-A Hypoglycaemically and hypolipidaemically active derivatives of phenylacetic acid BOEHRINGER-MANNHEIM GMBH (DE) 1980-06-10 US disclosed