SCHEMBL6175281

SCHEMBL6175281

COC(=O)OC(=CC[Si](C)(C)C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
KMT2A Q03164 4/20 0.40
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
GAA P10253 2/20 0.38
MEN1 O00255 3/20 0.37
PRSS1 P07477 2/20 0.37
CTSG P08311 2/20 0.37
CTRB1 P17538 2/20 0.37
CMA1 P23946 2/20 0.37
AKT1 P31749 2/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
HPGD P15428 2/20 0.35
POLB P06746 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL6175771 0.92 MTNR1A (0.39) TSHRKMT2AMTNR1AMTNR1BMEN1
SCHEMBL6175774 0.86 CES1 (0.38) TSHRKMT2AMTNR1AMTNR1BMEN1
SCHEMBL7128884 0.74 CES1 (0.46) TSHRKMT2AMTNR1AMTNR1BMEN1
SCHEMBL7132464 0.69 TSHR (0.45) TSHRKMT2AMTNR1AMTNR1BMEN1
SCHEMBL5015509 0.69 TSHR (0.68) TSHRKMT2AHPGDPOLBSMN1; SMN2
SCHEMBL6175280 0.69 PGR (0.36) TSHRKMT2AMTNR1AMTNR1BGAA
SCHEMBL23534041 0.66 TSHR (0.52) TSHRKMT2AMEN1HPGDCYP3A4
SCHEMBL9664043 0.66 TSHR (0.47) TSHRKMT2AMTNR1AMTNR1BGAA
SCHEMBL9333553 0.66 CES1 (0.44) TSHRKMT2AMTNR1AMTNR1BMEN1
SCHEMBL9333558 0.66 CES1 (0.44) TSHRKMT2AMTNR1AMTNR1BMEN1

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-1203770-B1 Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases UPJOHN CO (US) 2005-03-09 EP disclosed
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 disclosed
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