SCHEMBL21148548

SCHEMBL21148548

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
FFAR1 O14842 1/20 0.44
HDAC1 Q13547 2/20 0.41
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TAAR1 Q96RJ0 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
SCHEMBL21149844 0.85 HDAC1 (0.58) LMNAFFAR1HDAC1HDAC3MAPK1
SCHEMBL22201229 0.84 PLAAT3 (0.47) FFAR1HDAC1HDAC3MAPK1ADRA1A
SCHEMBL22201167 0.84 HDAC3 (0.47) FFAR1HDAC1HDAC3MAPK1ADRA1A
SCHEMBL21149328 0.84 PLAAT3 (0.47) FFAR1HDAC1HDAC3MAPK1ADRA1A
SCHEMBL22201204 0.83 HDAC1 (0.48) FFAR1HDAC1HDAC8TAAR1PLAAT3
SCHEMBL21148532 0.81 ALOX5 (0.57) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL22201278 0.80 MAPT (0.58) FFAR1HDAC1HDAC3MAPK1ADRA1A
SCHEMBL21148799 0.79 TSHR (0.49) SMN1; SMN2NPC1RAB9A
SCHEMBL22201127 0.79 MAPT (0.61) HDAC1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL655425 0.77 SMN1; SMN2 (0.67) LMNAFFAR1HDAC1HDAC3MAPK1

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
WO-2020141734-A1 METHOD FOR PREPARING CHIRAL GAMMA-LACTAM COMPOUND AND METAL COMPLEX THEREFOR 기초과학연구원 2020-07-09 WO disclosed
WO-2019135600-A1 NOVEL METAL COMPLEX, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING GAMMA-LACTAM COMPOUND USING SAME 기초과학연구원 2019-07-11 WO disclosed