SCHEMBL1126978

SCHEMBL1126978

COCCn1ccc(CC(C)C)c1C(=O)C(=O)Cl

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.38
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
NR3C1 P04150 1/20 0.33
P2RX7 Q99572 2/20 0.31
GAA P10253 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
IL1B P01584 1/20 0.30
GLA P06280 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1126629 0.81 ACACB (0.37) ACACBALDH1A1KDM4EHPGDNR3C1
SCHEMBL1127046 0.74 CNR1 (0.46) ALDH1A1KDM4EHPGDGAAKMT2A
SCHEMBL15162449 0.73 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL1126908 0.72 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDP2RX7GAA
SCHEMBL15162079 0.72 ALDH1A1 (0.32) ACACBALDH1A1KDM4EHPGDP2RX7
SCHEMBL1127699 0.71 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDP2RX7GAA
SCHEMBL1126989 0.69 ALDH1A1 (0.39) ALDH1A1HPGDP2RX7CNR1CNR2
SCHEMBL1126826 0.65 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDGAAMEN1
SCHEMBL1126951 0.63 CASR (0.39) ALDH1A1KDM4EHPGDCNR1CNR2
SCHEMBL1126995 0.62 GFER (0.39) ALDH1A1KDM4EHPGDGAAMEN1

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-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO disclosed