SCHEMBL13979907

SCHEMBL13979907

Cc1ccc(-c2ccc(OC3CCCCO3)c(F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
PDE4B Q07343 3/20 0.36
SYK P43405 1/20 0.36
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NAAA Q02083 1/20 0.33
SLC12A2 P55011 1/20 0.33
SLC12A5 Q9H2X9 1/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
PTPN1 P18031 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
P2RX3 P56373 1/20 0.32
PDE4A P27815 1/20 0.32

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 0.80 L3MBTL1 (0.43) PDE4BL3MBTL1
SCHEMBL10058953 0.78 ALDH1A1 (0.41) LMNAPDE4BALDH1A1PTPN1L3MBTL1
SCHEMBL7156421 0.78 PTPN1 (0.41) PDE4BPTPN1L3MBTL1HRH3
SCHEMBL7772772 0.77 RAB9A (0.44) LMNAPDE4BSYKKDM4ENPC1
SCHEMBL818901 0.77 RAB9A (0.44) LMNAPDE4BSYKKDM4ENPC1
SCHEMBL10058951 0.77 HPGD (0.36) LMNAPDE4BNPC1ALDH1A1RAB9A
SCHEMBL19991728 0.77 OXTR (0.44) PDE4BSYK
SCHEMBL26984899 0.77 PDE4B (0.34) PDE4BPTPN1L3MBTL1P2RX3PDE4A
SCHEMBL22320334 0.76 PDE4B (0.40) PDE4BSYKNPC1ALDH1A1MAPT
SCHEMBL7794958 0.76 L3MBTL1 (0.36) LMNAKDM4EPTPN1L3MBTL1

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-1174412-B1 POLYMERIZABLE COMPOSITION SHOWING LIQUID-CRYSTAL PHASE AND OPTICALLY ANISOTROPIC FILM PREPARED FROM SAID COMPOSITION DAINIPPON INK & CHEMICALS (JP) 2008-12-17 EP disclosed