SCHEMBL11118007

SCHEMBL11118007

CCCCCC1CCC(OC(=O)c2ccc(OC(=O)CCCC)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.42
SLC22A2 O15244 1/20 0.42
TMPRSS2 O15393 1/20 0.42
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
PLG P00747 1/20 0.42
F12 P00748 1/20 0.42
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
KLKB1 P03952 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPN P05981 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP2D6 P10635 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL11118005 1.00 ALDH1A1 (0.48) ALDH1A1HTTKMT2ASMN1; SMN2MEN1
SCHEMBL11119712 0.98 ALDH1A1 (0.46) ALDH1A1HTTKMT2ASMN1; SMN2MEN1
SCHEMBL11119716 0.98 ALDH1A1 (0.46) ALDH1A1HTTKMT2ASMN1; SMN2MEN1
SCHEMBL11115681 0.94 ALDH1A1 (0.49) ALDH1A1HTTKMT2ASMN1; SMN2MEN1
SCHEMBL11115685 0.94 ALDH1A1 (0.49) ALDH1A1HTTKMT2ASMN1; SMN2MEN1
SCHEMBL11115166 0.93 ALDH1A1 (0.46) ALDH1A1HTTKMT2ASMN1; SMN2MEN1
SCHEMBL11115164 0.93 ALDH1A1 (0.46) ALDH1A1HTTKMT2ASMN1; SMN2MEN1
SCHEMBL10069272 0.90 KMT2A (0.51) ALDH1A1HTTKMT2ASMN1; SMN2MEN1
SCHEMBL12436506 0.89 KMT2A (0.53) ALDH1A1HTTKMT2ASMN1; SMN2MEN1
SCHEMBL9590488 0.84 TP53 (0.48) ALDH1A1HTTCYP1A2CYP2D6HPGD

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
US-4478741-A 4-Alkylcyclohexyl 4-alkanoyloxybenzoate and liquid crystal composition thereof SHARP KABUSHIKI KAISHA (JP) 1984-10-23 US disclosed