SCHEMBL7447997

SCHEMBL7447997

O=c1oc(CC2(CC3CCCOC3)CC2)cc(O)c1C(c1cccs1)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ICMT O60725 2/20 0.33
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 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
NQO1 P15559 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
SCHEMBL7444575 0.96 ICMT (0.35) ICMTFEN1NQO1
SCHEMBL7449202 0.91 ICMT (0.38) ICMTNQO1
SCHEMBL7438652 0.87 FEN1 (0.33) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL7446268 0.86 HPGD (0.36) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL7444007 0.86
SCHEMBL7450257 0.85 ALDH1A1 (0.36) MEN1ALDH1A1KMT2A
SCHEMBL7483350 0.84 NQO1 (0.34) ICMTMEN1NPC1ALDH1A1RAB9A
SCHEMBL7445490 0.83 ERCC5 (0.31) FEN1NQO1
SCHEMBL7443227 0.81 LMNA (0.33) ICMTMEN1ALDH1A1KMT2ANQO1
SCHEMBL7445467 0.81 ALDH1A1 (0.30) ALDH1A1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0668860-B1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES UPJOHN CO (US) 2002-09-11 EP claimed
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 claimed
WO-1994011361-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES THE UPJOHN COMPANY (US) 1994-05-26 WO claimed
WO-1994011361-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES THE UPJOHN COMPANY (US) 1994-05-26 WO disclosed