SCHEMBL1126580

SCHEMBL1126580

COC(=O)c1c(C)[nH]c(C(=O)O)c1C(C)C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.51
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 2/20 0.42
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
NR4A2 P43354 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL1989883 0.83 LMNA (0.56) NPSR1LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL18878423 0.82 NPSR1 (0.49) NPSR1LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL8203695 0.77 NPSR1 (0.51) NPSR1LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL3575608 0.73 ALDH1A1 (0.42) NPSR1LMNAALDH1A1L3MBTL1MAPK1
SCHEMBL3585516 0.73 LDHA (0.33) LMNAALDH1A1KMT2AMEN1POLB
SCHEMBL7293758 0.72 LMNA (0.56) NPSR1LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL5596728 0.71 NPSR1 (0.38) NPSR1LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL18891701 0.71 RAB9A (0.43) NPSR1LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL7256405 0.71 NPSR1 (0.79) NPSR1LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL10717916 0.69 LMNA (0.56) NPSR1LMNASMN1; SMN2ALDH1A1MAPT

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