SCHEMBL8104458

SCHEMBL8104458

O=C(O)CCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 4/20 0.67
KDM4E B2RXH2 1/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
FABP4 P15090 1/20 0.49
FABP5 Q01469 1/20 0.49
RXRA P19793 2/20 0.48
RXRB P28702 2/20 0.48
NR4A2 P43354 2/20 0.48
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
GABRA4 P48169 1/20 0.48

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
SCHEMBL8104410 1.00 PTGIR (0.67) PTGIRKDM4ETSHRHSD17B10FABP4
SCHEMBL8103988 0.83 FAAH (0.61) PTGIRKDM4ETSHRHDAC3HDAC4
SCHEMBL8103726 0.81 FAAH (0.64) PTGIRTSHRMAPTFAAH
SCHEMBL9770984 0.81 PTGIR (0.64) PTGIRKDM4ETSHRHSD17B10GABRP
SCHEMBL8112625 0.81 FAAH (0.64) PTGIRTSHRMAPTFAAH
SCHEMBL9770992 0.81 PTGIR (0.64) PTGIRKDM4ETSHRHSD17B10GABRP
SCHEMBL8118256 0.81 PTGIR (0.48) PTGIR
SCHEMBL9208677 0.80 PTGIR (1.00) PTGIRKDM4ETSHRHSD17B10GABRP
SCHEMBL8104423 0.80 PTGIR (1.00) PTGIRKDM4ETSHRHSD17B10GABRP
Water SCHEMBL9205505 0.79 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 5 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-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