SCHEMBL4258317

SCHEMBL4258317

O=C(CS)C1=COC(Cc2ccccc2)O1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.33
CPA3 P15088 1/20 0.33
FOLH1 Q04609 1/20 0.33
FASN P49327 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
AKR1B1 P15121 1/20 0.32
ABCB1 P08183 1/20 0.31
ERCC5 P28715 1/20 0.31
FEN1 P39748 1/20 0.31
GRM2 Q14416 1/20 0.31
IDO1 P14902 1/20 0.31
SCD O00767 1/20 0.30
SCD5 Q86SK9 1/20 0.30

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
SCHEMBL5742539 0.85 PTPN1 (0.41) CTRB1FASNCES2CES1AKR1B1
SCHEMBL230546 0.84 CTRB1 (0.36) CTRB1FASNCES2CES1AKR1B1
SCHEMBL5004808 0.81 PLA2G10 (0.39) CTRB1FASNCES2CES1AKR1B1
SCHEMBL388934 0.81 ALDH1A1 (0.36) CTRB1FASNCES2CES1AKR1B1
SCHEMBL133894 0.79 MEN1 (0.36) CTRB1
SCHEMBL3712470 0.78 TSHR (0.40)
SCHEMBL3369296 0.75 IDO1 (0.37) IDO1
SCHEMBL5911326 0.74 SMN1; SMN2 (0.36)
SCHEMBL5175535 0.73 L3MBTL1 (0.44)
SCHEMBL4865516 0.72 P2RX7 (0.39)

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-1846430-B1 NEW MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-04-01 EP disclosed