SCHEMBL10058951

SCHEMBL10058951

CSc1ccc(OC2CCCCO2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
GPR6 P46095 1/20 0.35
PDE4B Q07343 2/20 0.35
ATR Q13535 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PTPN1 P18031 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
P2RX3 P56373 2/20 0.32
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
IDO1 P14902 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL9314761 0.81 L3MBTL1 (0.43) GPR6PDE4BL3MBTL1IDO1
SCHEMBL16628341 0.81 HPGD (0.38) HPGDPDE4BALDH1A1PTPN1NPC1
SCHEMBL7156421 0.79 PTPN1 (0.41) PDE4BPTPN1L3MBTL1IDO1
SCHEMBL10058953 0.79 ALDH1A1 (0.41) PDE4BALDH1A1PTPN1L3MBTL1LMNA
SCHEMBL26984899 0.78 PDE4B (0.34) PDE4BPTPN1L3MBTL1P2RX3IDO1
SCHEMBL13979907 0.77 LMNA (0.37) PDE4BALDH1A1PTPN1L3MBTL1P2RX3
SCHEMBL13946932 0.77 SMN1; SMN2 (0.40) HPGDALDH1A1LMNANPC1RAB9A
SCHEMBL24717170 0.76 PDE4B (0.33) PDE4BPTPN1L3MBTL1P2RX3LMNA
SCHEMBL14861407 0.76 USP30 (0.39) GPR6
SCHEMBL7774635 0.75 SLC6A2 (0.39) ALDH1A1L3MBTL1

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-2012086735-A1 CONDENSED HETEROCYCLIC COMPOUND 大正製薬株式会社 (JP) 2012-06-28 WO disclosed