SCHEMBL11368205

SCHEMBL11368205

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
ALDH1A1 P00352 1/20 0.62
TP53BP1 Q12888 1/20 0.56
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
ESRRG P62508 1/20 0.53
NR1H4 Q96RI1 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CDK8 P49336 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52

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
SCHEMBL11481078 0.90 ALDH1A1 (0.62) POLBALDH1A1TP53BP1HDAC3HDAC4
SCHEMBL3243689 0.90 ALDH1A1 (0.68) POLBALDH1A1TP53BP1HDAC3HDAC4
SCHEMBL11353085 0.84 ALDH1A1 (0.61) POLBALDH1A1TP53BP1HDAC3HDAC1
SCHEMBL3233030 0.82 NAMPT (0.64) POLBALDH1A1HDAC3HDAC4HDAC1
SCHEMBL5969299 0.81 ESRRG (0.73) HDAC2HDAC8HDAC6ESRRGNPC1
SCHEMBL11357235 0.81 ESRRG (0.68) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL28063257 0.79 MAPT (0.64) POLBALDH1A1NPC1RAB9AHRH3
SCHEMBL613062 0.78 POLB (0.67) POLBALDH1A1TP53BP1LMNATP53
SCHEMBL30407428 0.78 POLB (0.67) POLBALDH1A1TP53BP1LMNATP53
SCHEMBL3514277 0.78 POLB (0.76) POLBALDH1A1TP53BP1HDAC3HDAC1

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