SCHEMBL8113642

SCHEMBL8113642

O=C(O)c1ccc(OCCCCn2c(-c3ccccc3)nc(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 4/20 0.60
PKM P14618 1/20 0.48
FAAH O00519 6/20 0.47
RXFP1 Q9HBX9 1/20 0.46
PLA2G2A P14555 1/20 0.46
POLB P06746 1/20 0.45
TNK2 Q07912 1/20 0.45
FABP4 P15090 1/20 0.45
RARB P10826 3/20 0.44

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
SCHEMBL8843822 0.89 MGAM (0.53) PIN1FAAHRXFP1
SCHEMBL5371904 0.86 FAAH (0.57) PIN1PKMFAAHPLA2G2A
SCHEMBL5369562 0.83 FAAH (0.53) PIN1PKMFAAH
SCHEMBL8104033 0.82 FAAH (0.52) PIN1FAAHRXFP1PLA2G2A
SCHEMBL8104083 0.80 FAAH (0.65) FAAHRXFP1PLA2G2A
SCHEMBL8104252 0.77 FAAH (0.61) FAAHFABP4
SCHEMBL8103885 0.77 FAAH (0.61) FAAHFABP4
SCHEMBL8104725 0.77 FAAH (0.61) FAAHFABP4
SCHEMBL8113624 0.77 FAAH (0.61) FAAHFABP4
SCHEMBL8110935 0.76 FAAH (0.47) FAAH

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 10 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 claimed
US-5648373-A CoA-IT and PAF inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1997-07-15 US claimed
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-0550502-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
WO-1992004330-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-03-19 WO disclosed