SCHEMBL9199709

SCHEMBL9199709

CCC(c1cccs1)c1c(O)cc(C(CC2CCCOC2)C2CC2)oc1=O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
FEN1 P39748 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
NQO1 P15559 1/20 0.31
CYP2C9 P11712 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
SCHEMBL9197378 0.90 ICMT (0.33) NQO1
SCHEMBL7439058 0.89 MEN1 (0.34) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL9286896 0.88 ICMT (0.35) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL7450971 0.85 NQO1 (0.34) FEN1HDAC3HDAC1HDAC2NQO1
SCHEMBL7435361 0.82 MEN1 (0.35) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL7483351 0.80 ALDH1A1 (0.34) MEN1ALDH1A1KMT2ANQO1CYP2C9
SCHEMBL9196771 0.80 NQO1 (0.31) NQO1
SCHEMBL7435888 0.79 NQO1 (0.35) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL7438652 0.79 FEN1 (0.33) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL7476430 0.78 ICMT (0.36) MEN1NPC1ALDH1A1RAB9AKMT2A

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
EP-0668860-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1995-08-30 EP disclosed