SCHEMBL7438798

SCHEMBL7438798

CCC(Cc1ccco1)c1cc(O)c(C(CC)c2ccc(C)s2)c(=O)o1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.34
CYP2C9 P11712 2/20 0.33
HTR2B P41595 1/20 0.32
TP53 P04637 2/20 0.32
MEN1 O00255 2/20 0.32
POLB P06746 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 3/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 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
SCHEMBL7446057 0.86 MAPT (0.33) MAPTHTR2BTP53LMNA
SCHEMBL7443077 0.86 CYP2C9 (0.37) MAPTCYP2C9POLBKDM4EGLA
SCHEMBL7440645 0.85 NQO1 (0.36) MAPTCYP2C9HTR2BTP53MEN1
SCHEMBL7450264 0.83 CYP2C19 (0.34) CYP2C9HTR2BPOLBCYP2C19LMNA
SCHEMBL7442732 0.83 ESR1 (0.39) MAPTCYP2C9ALDH1A1
SCHEMBL7445308 0.83 CYP2C9 (0.32) MAPTCYP2C9ALDH1A1
SCHEMBL7447190 0.82 CYP2C9 (0.31) CYP2C9
SCHEMBL7438454 0.82 ESR2 (0.33) MAPTCYP2C9ALDH1A1
SCHEMBL7443923 0.81 CYP2C9 (0.31) CYP2C9ALDH1A1
SCHEMBL7445588 0.81 MAPT (0.39) MAPTCYP2C9MEN1POLBKMT2A

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
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
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