SCHEMBL11241207

SCHEMBL11241207

CC(=O)CCc1ccc(NCc2ccc(Cl)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.75
HDAC1 Q13547 2/20 0.57
FFAR4 Q5NUL3 3/20 0.56
MAPT P10636 1/20 0.55
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
RECQL P46063 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
CNR2 P34972 1/20 0.51
HDAC6 Q9UBN7 1/20 0.49
PLAAT3 P53816 2/20 0.48
PLAAT5 Q96KN8 2/20 0.48
PLAAT2 Q9NWW9 2/20 0.48
PLAAT4 Q9UL19 2/20 0.48
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL11239667 0.86 FFAR1 (1.00) FFAR1HDAC1FFAR4
SCHEMBL11252363 0.85 FFAR1 (0.71) FFAR1HDAC1FFAR4MAPTMEN1
SCHEMBL1776 0.85 ALDH1A1 (0.63) FFAR1HDAC1MAPTMEN1CYP1A2
SCHEMBL11243506 0.84 FFAR1 (0.57) FFAR1FFAR4MAPTALDH1A1
SCHEMBL11253322 0.84 MAPT (0.65) FFAR1HDAC1MAPTMEN1CYP1A2
SCHEMBL11243173 0.81 MAPT (0.74) FFAR1HDAC1FFAR4MAPTMEN1
SCHEMBL11245603 0.81 HDAC1 (0.69) FFAR1HDAC1MAPTMEN1CYP1A2
SCHEMBL10945837 0.79 MEN1 (0.71) FFAR1HDAC1MAPTMEN1CYP1A2
SCHEMBL11512612 0.79 MEN1 (0.71) FFAR1HDAC1MAPTMEN1CYP1A2
SCHEMBL19396430 0.78 ALDH1A1 (0.55) FFAR1HDAC1FFAR4MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4206145-A ALKANOYL-SUBSTITUTED ARALKYLAMINES BEECHAM GROUP LIMITED (GB) 1980-06-03 US claimed
US-4362892-A ARALKYLANILINES, ANTICHOLESTEROL AGENTS BEECHAM GROUP LIMITED (GB) 1982-12-07 US disclosed
US-4206145-A ALKANOYL-SUBSTITUTED ARALKYLAMINES BEECHAM GROUP LIMITED (GB) 1980-06-03 US disclosed