SCHEMBL9791972

SCHEMBL9791972

Cc1ccc(C2[C@]3(O)C(O)C(c4ccc(C(=O)Nc5ccccc5)cc4)[C@]3(O)[C@]2(O)[C@H](O)CO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.43
NPC1 O15118 6/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
MAPT P10636 2/20 0.43
EPHX2 P34913 1/20 0.40
MMP9 P14780 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
GAA P10253 1/20 0.38
NAMPT P43490 2/20 0.37
NR3C1 P04150 1/20 0.37
LMNA P02545 2/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL9792029 0.95 MAOA (0.41) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL9791908 0.92 MAOA (0.38) RAB9ANPC1SMN1; SMN2EPHX2MEN1
SCHEMBL9792018 0.91 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MAPTEPHX2
SCHEMBL9791969 0.87 MMP13 (0.40) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL9791983 0.86 HPGD (0.39) SMN1; SMN2MAPTMEN1CYP1A2CYP2C19
SCHEMBL812863 0.85 ABCB1 (0.33)
SCHEMBL9791996 0.85 PLK1 (0.33) SMN1; SMN2HTTHPGD
SCHEMBL9796136 0.85 PLK1 (0.33) SMN1; SMN2HTTHPGD
SCHEMBL9791912 0.83 L3MBTL1 (0.40) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL9792049 0.82 HPGD (0.39) RAB9ANPC1SMN1; SMN2MAPTMEN1

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-4996334-A Dibenzylidenesorbitols for gelatinizing oils and liquids, increasing transparency and rigidity in resins, improving viscosity of coatings and stabilizing emulsions MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1991-02-26 US disclosed