SCHEMBL8032659

SCHEMBL8032659

CCCCCCCCCC(=O)Oc1ccc(-c2ccc(C(=O)Oc3ccc(C(=O)O[C@H](C)CCC(C)C)c(F)c3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
MEN1 O00255 2/20 0.37
SLC22A2 O15244 1/20 0.37
TMPRSS2 O15393 1/20 0.37
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
PLG P00747 1/20 0.37
F12 P00748 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
KLKB1 P03952 1/20 0.37
HPN P05981 1/20 0.37
CHRM2 P08172 1/20 0.37

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
SCHEMBL8861897 0.92 KMT2A (0.41) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9239149 0.92 ALDH1A1 (0.46) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7789217 0.92 ALDH1A1 (0.46) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7789247 0.92 ALDH1A1 (0.46) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7797614 0.92 ALDH1A1 (0.46) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7797623 0.92 ALDH1A1 (0.46) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7796053 0.92 ALDH1A1 (0.46) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7796057 0.92 KMT2A (0.41) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7798766 0.92 ALDH1A1 (0.46) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8389918 0.90 KMT2A (0.36) KMT2ANPC1RAB9ASMN1; SMN2CYP1A2

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
JP-2000095733-A FERRIELECTRIC LIQUID CRYSTAL COMPOUND MITSUBISHI GAS CHEM CO INC 2000-04-04 JP disclosed