SCHEMBL8021775

SCHEMBL8021775

NC(=O)C(O)CCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.53
LMNA P02545 1/20 0.51
HDAC3 O15379 3/20 0.50
HDAC1 Q13547 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC5 Q9UQL6 3/20 0.50
HDAC4 P56524 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
FAAH O00519 1/20 0.50
MAPK1 P28482 1/20 0.50
ADRA1A P35348 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TRPA1 O75762 2/20 0.47
MAPT P10636 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
SCHEMBL5135541 0.93 FAAH (0.58) GRIK1LMNAHDAC3HDAC1HDAC2
SCHEMBL865266 0.93 FAAH (0.58) GRIK1LMNAHDAC3HDAC1HDAC2
SCHEMBL1004196 0.89 ANPEP (0.50) LMNAFAAHSMN1; SMN2TRPA1EPHX1
SCHEMBL3623271 0.85 GRIK1 (0.56) GRIK1HDAC3HDAC1HDAC2HDAC8
SCHEMBL27754701 0.81 GRIK1 (0.61) GRIK1LMNAHDAC3HDAC1HDAC2
SCHEMBL10419193 0.81 GRIK1 (0.57) GRIK1LMNAHDAC3HDAC1HDAC2
SCHEMBL30812427 0.81 NOS1 (0.51) GRIK1LMNAHDAC3HDAC1HDAC2
SCHEMBL29032086 0.81 GRIK1 (0.61) GRIK1LMNAHDAC3HDAC1HDAC2
SCHEMBL7056683 0.80 NPC1 (0.53) GRIK1LMNAHDAC3HDAC1HDAC2
SCHEMBL7598869 0.80 TSHR (0.51) GRIK1LMNAHDAC3HDAC1HDAC2

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-2000053198-A1 INHIBITOR OF LIPOXYGENASE PATHWAYS PHARMALINK INTERNATIONAL LIMITED (CN) 2000-09-14 WO disclosed