SCHEMBL6869224

SCHEMBL6869224

OC[C@H](Cc1ccc(-c2nccs2)cc1)C(O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.53
ADRB2 P07550 3/20 0.49
PDPK1 O15530 1/20 0.46
CYP2A6 P11509 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
FFAR1 O14842 1/20 0.37
CARM1 Q86X55 2/20 0.36
PRMT1 Q99873 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL19112150 0.83 LOXL2 (0.57) LOXL2ADRB2PDPK1CYP2A6PTGDR2
SCHEMBL533419 0.77 LOXL2 (0.67) LOXL2ADRB2PDPK1CYP2A6PTGDR2
SCHEMBL19112147 0.76 ADRB2 (0.49) ADRB2CYP2A6
SCHEMBL10130841 0.76 LOXL2 (0.61) LOXL2ADRB2PDPK1CYP2A6ABL1
SCHEMBL14210017 0.75 LOXL2 (0.56) LOXL2ADRB2PDPK1PTGDR2ABL1
SCHEMBL2291509 0.74 LOXL2 (0.51) LOXL2ADRB2PDPK1PTGDR2SLC6A4
SCHEMBL2291507 0.74 LOXL2 (0.51) LOXL2ADRB2PDPK1PTGDR2SLC6A4
SCHEMBL722198 0.74 PDPK1 (0.77) LOXL2ADRB2PDPK1CYP2A6PTGDR2
SCHEMBL6868143 0.74 LTA4H (0.53) FFAR1HDAC1HDAC2HDAC6LTA4H
SCHEMBL6852601 0.73 LOXL2 (0.67) LOXL2ADRB2PDPK1CYP2A6PTGDR2

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-2011023864-A1 PSEUDODIPEPTIDES AS MMP INHIBITORS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2011-03-03 WO disclosed