SCHEMBL15859641

SCHEMBL15859641

COc1cccc2c1C(=O)c1cccc(OCCO)c1C2=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.60
PIM1 P11309 1/20 0.60
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KCNA3 P22001 1/20 0.52
ELANE P08246 7/20 0.51
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
DUSP3 P51452 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
APAF1 O14727 1/20 0.49
MITF O75030 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
BACE1 P56817 2/20 0.48
CTSG P08311 1/20 0.47

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
SCHEMBL17305579 0.92 KCNA3 (0.59) EGFRPIM1MEN1KMT2AALDH1A1
SCHEMBL2266343 0.87 KCNA3 (0.68) EGFRPIM1MEN1KMT2AALDH1A1
SCHEMBL12332436 0.87 KCNA3 (0.58) EGFRPIM1MEN1KMT2AALDH1A1
SCHEMBL28365315 0.84 KCNA3 (0.59) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL7933560 0.84 KCNA3 (0.59) EGFRPIM1MEN1KMT2AALDH1A1
SCHEMBL3417492 0.83 EGFR (0.76) EGFRPIM1MEN1KMT2AALDH1A1
SCHEMBL7792566 0.79 EGFR (0.71) EGFRPIM1MEN1KMT2AALDH1A1
SCHEMBL15859640 0.79 KCNA3 (0.70) EGFRPIM1MEN1KMT2AALDH1A1
SCHEMBL11800130 0.79 KCNA3 (0.48) EGFRPIM1MEN1KMT2AALDH1A1
SCHEMBL6333924 0.79 KCNA3 (0.61) EGFRPIM1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014106066-A1 PH METER SENOVA SYSTEMS, INC. (US) 2014-07-03 WO disclosed