SCHEMBL22201204

SCHEMBL22201204

N=C(CCCc1ccc(C(F)(F)F)cc1)OC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
FFAR1 O14842 2/20 0.45
TAAR1 Q96RJ0 1/20 0.45
PDPK1 O15530 1/20 0.44
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
MC4R P32245 1/20 0.41
NAAA Q02083 1/20 0.41
RXRA P19793 1/20 0.41
NR1H2 P55055 1/20 0.41
MAOB P27338 1/20 0.41
SRD5A2 P31213 1/20 0.40
PPARD Q03181 1/20 0.40
LTA4H P09960 1/20 0.40
EPHX2 P34913 1/20 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
SCHEMBL21148548 0.83 LMNA (0.49) HDAC1HDAC8FFAR1TAAR1PLAAT3
SCHEMBL21149844 0.81 HDAC1 (0.58) HDAC1HDAC8FFAR1PLAAT3PLAAT5
SCHEMBL22201229 0.80 PLAAT3 (0.47) HDAC1HDAC8FFAR1TAAR1PLAAT3
SCHEMBL21149328 0.80 PLAAT3 (0.47) HDAC1HDAC8FFAR1TAAR1PDPK1
SCHEMBL22201167 0.80 HDAC3 (0.47) HDAC1HDAC8FFAR1TAAR1PDPK1
SCHEMBL1454387 0.79 FFAR1 (0.60) HDAC1HDAC8FFAR1TAAR1PDPK1
Hydrochloric Acid SCHEMBL2763476 0.78 FFAR1 (0.59) HDAC1HDAC8FFAR1TAAR1PDPK1
SCHEMBL21148532 0.78 ALOX5 (0.57) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL22201128 0.77 NR1H4 (0.36) PPARAEPHX2
SCHEMBL22201278 0.76 MAPT (0.58) HDAC1HDAC8FFAR1PLAAT3PLAAT5

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
WO-2020141734-A1 METHOD FOR PREPARING CHIRAL GAMMA-LACTAM COMPOUND AND METAL COMPLEX THEREFOR 기초과학연구원 2020-07-09 WO disclosed