SCHEMBL7446404

SCHEMBL7446404

Cc1ccc(C(c2c(O)cc(CC3(CC4CCCO4)CC3)oc2=O)C2CC2)s1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
ALDH1A1 P00352 5/20 0.33
MAPT P10636 4/20 0.33
HPGD P15428 4/20 0.33
POLB P06746 3/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
PKM P14618 1/20 0.33
ATM Q13315 1/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
HIF1A Q16665 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL7441119 0.98 ALDH1A1 (0.35) TP53ALDH1A1MAPTHPGDPOLB
SCHEMBL7448075 0.89 ALDH1A1 (0.35) TP53ALDH1A1MAPTHPGDPOLB
SCHEMBL7440655 0.87 ALDH1A1 (0.37) TP53ALDH1A1MAPTHPGDPOLB
SCHEMBL7443868 0.87 ALDH1A1 (0.31) ALDH1A1HPGDKMT2A
SCHEMBL7444007 0.86
SCHEMBL7445467 0.85 ALDH1A1 (0.30) ALDH1A1HPGDKMT2A
SCHEMBL7446268 0.85 HPGD (0.36) ALDH1A1MAPTHPGDPOLBKMT2A
SCHEMBL7450276 0.84 MAPT (0.33) TP53ALDH1A1MAPTHPGDKMT2A
SCHEMBL7450257 0.84 ALDH1A1 (0.36) ALDH1A1MAPTHPGDPOLBKMT2A
SCHEMBL7445565 0.83 ALDH1A1 (0.31) ALDH1A1HPGDKMT2A

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
EP-1203770-A1 Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases PHARMACIA & UPJOHN COMPANY (US) 2002-05-08 EP disclosed