SCHEMBL1127735

SCHEMBL1127735

COCc1c(-c2ccccc2)c[nH]c1C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
NEK1 Q96PY6 1/20 0.43
SGK1 O00141 1/20 0.43
CAMKK2 Q96RR4 1/20 0.43
AXL P30530 2/20 0.40
NR4A2 P43354 1/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PRKCZ Q05513 1/20 0.40
EGFR P00533 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39

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
SCHEMBL1127466 0.76 HTT (0.41) HTTALDH1A1NEK1SGK1CAMKK2
SCHEMBL1126705 0.75 HTT (0.50) HTTALDH1A1HPGDHSD17B10ALOX15
SCHEMBL16007019 0.72 HTT (0.54) HTTALDH1A1HPGDNEK1SGK1
SCHEMBL16112588 0.70 HTT (0.52) HTTALDH1A1HPGDHSD17B10ALOX15
SCHEMBL9805097 0.70 HTT (1.00) HTTALDH1A1HPGDNEK1SGK1
SCHEMBL27395864 0.69 ALDH1A1 (0.79) HTTALDH1A1HPGDHSD17B10ALOX15
SCHEMBL1126776 0.69 ALDH1A1 (0.53) HTTALDH1A1HPGDHSD17B10ALOX15
SCHEMBL16111747 0.69 LMNA (0.48) HTTALDH1A1HPGDHSD17B10NEK1
SCHEMBL5769402 0.69 CA12 (0.44) HTTALDH1A1SGK1CAMKK2KMT2A
SCHEMBL26553256 0.69 LMNA (0.48) HTTALDH1A1AXLNR4A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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