SCHEMBL7839814

SCHEMBL7839814

COC(=O)C(C)(C)Cc1ccc(OC)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.45
▸ P2RX3 P56373 1/20 0.44
▸ TAS1R3 Q7RTX0 5/20 0.44
▸ TAS1R1 Q7RTX1 5/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CACNA1G O43497 1/20 0.40
▸ CACNA1H O95180 1/20 0.40
▸ CACNA1I Q9P0X4 1/20 0.40
▸ TAS2R14 Q9NYV8 1/20 0.39

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
SCHEMBL14212007 0.88 ALDH1A1 (0.55) ALDH1A1POLBHTT
SCHEMBL7840765 0.86 PPARA (0.53) HPGDP2RX3TAS1R3TAS1R1PPARA
SCHEMBL15448867 0.84 PPARA (0.43) PPARAALDH1A1
SCHEMBL6374373 0.82 PPARA (0.53) HPGDPPARAALDH1A1POLB
SCHEMBL11509018 0.80 PTPRB (0.47) —
SCHEMBL11648125 0.79 PTGS1 (0.44) HPGDPPARAALDH1A1SMN1; SMN2POLB
SCHEMBL24042028 0.79 PPARA (0.36) HPGDP2RX3PPARAPOLBHTT
SCHEMBL9917308 0.79 CRHBP (0.47) HPGDTAS1R3TAS1R1PPARAALDH1A1
SCHEMBL6720457 0.78 BLM (0.57) HPGDTAS1R3TAS1R1PPARAALDH1A1
SCHEMBL11530777 0.77 HPGD (0.45) HPGDSMN1; SMN2

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-0843666-B1 4-SUBSTITUTED 5-POLYCYCLYLPYRIMIDINE HERBICIDES DOW AGROSCIENCES LLC (US) 2001-05-16 — — EP disclosed
US-5780465-A 4-substituted 5-polycyclylpyrimidine herbicides DOW AGROSCIENCES LLC (US) 1998-07-14 — — US disclosed
EP-0843666-A1 4-SUBSTITUTED 5-POLYCYCLYLPYRIMIDINE HERBICIDES DOWELANCO (US) 1998-05-27 — — EP disclosed
WO-1997037978-A1 4-SUBSTITUTED 5-POLYCYCLYLPYRIMIDINE HERBICIDES DOWELANCO (US) 1997-10-16 — — WO disclosed
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