SCHEMBL9792001

SCHEMBL9792001

CCCNC(=O)c1ccc(C2C(O)[C@@]3(O)C(c4ccc(OC)cc4)[C@@](O)([C@H](O)CO)[C@@]23O)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 5/20 0.40
HPGD P15428 1/20 0.40
NAMPT P43490 1/20 0.39
ALDH1A1 P00352 5/20 0.38
PDE5A O76074 3/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
APP P05067 1/20 0.38
MDM2 Q00987 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
POLB P06746 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 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
SCHEMBL9791860 0.94 KDM4E (0.38) NPC1RAB9AHPGDNAMPTALDH1A1
SCHEMBL9791995 0.90 KDM4E (0.35) NPC1RAB9AHPGDNAMPTALDH1A1
SCHEMBL9791862 0.90 KDM4E (0.35) NPC1RAB9AHPGDNAMPTALDH1A1
SCHEMBL9791883 0.90 KDM4E (0.37) HPGDNAMPTALDH1A1
SCHEMBL9796151 0.90 KDM4E (0.37) HPGDNAMPTALDH1A1
SCHEMBL9791980 0.88 PLK1 (0.47) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL9791917 0.88 PLK1 (0.47) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL9841193 0.87 L3MBTL1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL9792015 0.86 CA1 (0.45) NPC1SMN1; SMN2ALDH1A1
SCHEMBL9792014 0.86 CA1 (0.45) NPC1SMN1; SMN2ALDH1A1

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