SCHEMBL6750436

SCHEMBL6750436

CCCCC1COC(C2CCC(C3CCC(O)CC3)CC2)OC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SPHK2 Q9NRA0 4/20 0.33
SPHK1 Q9NYA1 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
EPHX1 P07099 1/20 0.32
MAPT P10636 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
SCHEMBL19722308 0.93 ALDH1A1 (0.41) CYP1A2SMN1; SMN2ALDH1A1HTTSPHK2
SCHEMBL23743990 0.87 SHBG (0.32)
SCHEMBL11302356 0.84 CYP1A2 (0.44) CYP1A2SMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL7781414 0.84 CYP1A2 (0.44) CYP1A2SMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL7781417 0.84 CYP1A2 (0.44) CYP1A2SMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL11302354 0.84 CYP1A2 (0.44) CYP1A2SMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL11016172 0.83 CYP1A2 (0.38) CYP1A2SMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL11018941 0.83 CYP1A2 (0.38) CYP1A2SMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL11018945 0.83 CYP1A2 (0.38) CYP1A2SMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL11018947 0.83 CYP1A2 (0.38) CYP1A2SMN1; SMN2ALDH1A1LMNAMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6685995-B1 LOW VOLTAGE, WIDE TEMPERATURE RANGE DRIVING; HIGH SPEED RESPONSE CHISSO CORPORATION (JP) 2004-02-03 US disclosed
EP-1053996-A1 ESTER COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORPORATION (JP) 2000-11-22 EP disclosed