SCHEMBL16354091

SCHEMBL16354091

CC[C@H](C(=O)O)c1ccc(NC(N)=S)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.51
CRHR2 Q13324 2/20 0.51
ALDH1A1 P00352 4/20 0.49
RECQL P46063 1/20 0.46
TP53 P04637 1/20 0.46
TYR P14679 1/20 0.46
TSHR P16473 1/20 0.46
TAS2R38 P59533 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HDAC3 O15379 3/20 0.45
HDAC4 P56524 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC10 Q969S8 3/20 0.45
HDAC11 Q96DB2 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC9 Q9UKV0 3/20 0.45
HDAC5 Q9UQL6 3/20 0.45

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
SCHEMBL262074 1.00 CRHBP (0.51) CRHBPCRHR2ALDH1A1RECQLTP53
SCHEMBL261231 0.87 KIF11 (0.54) CRHBPCRHR2ALDH1A1RECQLHDAC3
SCHEMBL4110633 0.84 CRHBP (0.51) CRHBPCRHR2ALDH1A1RECQLTSHR
SCHEMBL31357785 0.82 CRHBP (0.55) CRHBPCRHR2ALDH1A1TSHRHSD17B10
SCHEMBL8786263 0.80 CRHBP (0.49) CRHBPCRHR2ALDH1A1RECQLHDAC3
SCHEMBL1574429 0.79 AKR1C3 (0.58) CRHBPCRHR2ALDH1A1HSD17B10LMNA
Hydrochloric Acid SCHEMBL1410650 0.79 CRHBP (0.48) CRHBPCRHR2ALDH1A1RECQLHDAC3
SCHEMBL2815572 0.79 NR1H4 (0.54) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL2170471 0.79 NR1H4 (0.54) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL31149005 0.78 CRHBP (0.50) CRHBPCRHR2ALDH1A1HDAC3HDAC4

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
EP-2346841-B1 2-ARYL-PROPIONIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPÉ S P A (IT) 2015-01-14 EP claimed