SCHEMBL21149844

SCHEMBL21149844

N=C(CCCc1ccccc1)OC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.58
HDAC3 O15379 3/20 0.58
HDAC2 Q92769 3/20 0.58
HDAC8 Q9BY41 3/20 0.58
HDAC6 Q9UBN7 3/20 0.58
HDAC5 Q9UQL6 3/20 0.58
HDAC4 P56524 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58
MAPK1 P28482 1/20 0.58
ADRA1A P35348 1/20 0.58
SLC6A3 Q01959 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TDP1 Q9NUW8 3/20 0.53
NPC1 O15118 1/20 0.53
CASP3 P42574 1/20 0.53
RAB9A P51151 1/20 0.53
SENP8 Q96LD8 1/20 0.53

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
SCHEMBL22201278 0.95 MAPT (0.58) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL22201127 0.93 MAPT (0.61) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL22201229 0.85 PLAAT3 (0.47) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL21149328 0.85 PLAAT3 (0.47) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL21148548 0.85 LMNA (0.49) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL22201167 0.85 HDAC3 (0.47) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL22201233 0.83 TAAR1 (0.46) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL22201222 0.83 CYP1A2 (0.66) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL21148532 0.82 ALOX5 (0.57) ALOX5PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL27603053 0.81 HDAC1 (0.62) HDAC1HDAC3HDAC2HDAC8HDAC6

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