SCHEMBL8103845

SCHEMBL8103845

O=C(O)CCCCCCCCn1nnc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 4/20 0.66
KDM4E B2RXH2 2/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
EGLN3 Q9H6Z9 1/20 0.47
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45

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
SCHEMBL8104175 1.00 PTGIR (0.66) PTGIRKDM4ETSHRHSD17B10EGLN3
SCHEMBL8113839 0.86 FAAH (0.60) PTGIRKDM4EFAAHHDAC1
SCHEMBL8103917 0.81 PTGIR (0.43) PTGIRCYP1A2
SCHEMBL9200683 0.80 PTGIR (1.00) PTGIRKDM4ETSHRHSD17B10GABRP
SCHEMBL9198869 0.80 PTGIR (1.00) PTGIRKDM4ETSHRHSD17B10GABRP
SCHEMBL9202086 0.80 PTGIR (1.00) PTGIRKDM4ETSHRHSD17B10GABRP
SCHEMBL9206363 0.80 PTGIR (1.00) PTGIRKDM4ETSHRHSD17B10GABRP
SCHEMBL9206357 0.80 PTGIR (1.00) PTGIRKDM4ETSHRHSD17B10GABRP
SCHEMBL19926859 0.79 PTGS2 (0.54) HSD17B10
Water SCHEMBL9203487 0.78 PTGIR (0.97) PTGIRKDM4ETSHRHSD17B10GABRP

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626969-B1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORP (US) 2000-05-24 EP disclosed
US-5663053-A COENZYME A TRANSACYLASE FOR SCREENING SMITHKLINE BEECHAM CORPORATION (US) 1997-09-02 US disclosed
US-5648373-A CoA-IT and PAF inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1997-07-15 US disclosed
EP-0626969-A4 CoA-IT AND PAF INHIBITORS. SMITHKLINE BEECHAM CORP (US) 1995-04-19 EP disclosed
EP-0626969-A1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-12-07 EP disclosed
WO-1993016674-A1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-09-02 WO disclosed
EP-0548227-A1 COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-06-30 EP disclosed
WO-1992004334-A1 COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-03-19 WO disclosed