SCHEMBL7444161

SCHEMBL7444161

CCC(Cc1ccccc1)c1cc(O)c(C(c2ccc(C)s2)C2CC2)c(=O)o1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2C9 P11712 1/20 0.32
TOP2A P11388 1/20 0.31
TOP2B Q02880 1/20 0.31
C3AR1 Q16581 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
NQO1 P15559 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL7438299 0.93 ESR1 (0.35) ALDH1A1HPGDKMT2A
SCHEMBL7448280 0.93 ALDH1A1 (0.31) ALDH1A1HPGDKMT2A
SCHEMBL7438677 0.92 ALDH1A1 (0.31) ALDH1A1HPGDKMT2A
SCHEMBL7449766 0.91 ALDH1A1 (0.33) ALDH1A1HPGDKMT2A
SCHEMBL7438155 0.91 CCR5 (0.30) ALDH1A1HPGDKMT2A
SCHEMBL6175446 0.90 LMNA (0.33) LMNATDP1CYP2C9C3AR1
SCHEMBL7444893 0.89 MAPT (0.37) KMT2ANQO1
SCHEMBL7431567 0.89 LMNA (0.31) LMNATDP1CYP2C9C3AR1
SCHEMBL6175682 0.89 C3AR1 (0.32) LMNATDP1CYP2C9C3AR1
SCHEMBL7439799 0.88 ADAMTS4 (0.31)

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 5 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
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
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