SCHEMBL2230841

SCHEMBL2230841

CCCCc1cc(CCC(=O)N(N)C(=O)CCc2cc(CCCC)c(O)c(CCCC)c2)cc(CCCC)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
IAPP P10997 1/20 0.38
TYR P14679 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36

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
SCHEMBL21777460 0.84 EGFR (0.49) EGFRNPC1HPGDMAPK1HTT
SCHEMBL25307665 0.82 EGFR (0.43) EGFRNPC1HPGDMAPK1HTT
SCHEMBL4854721 0.82 THRA (0.49) EGFRNPC1HPGDMAPK1HTT
SCHEMBL28002486 0.81 ALDH1A1 (0.44) EGFRNPC1HPGDMAPK1HTT
SCHEMBL27836584 0.80 GAA (0.56) EGFRNPC1HPGDMAPK1HTT
SCHEMBL7047486 0.80 CYP4F2 (0.50) EGFRNPC1HPGDMAPK1HTT
SCHEMBL1629297 0.79 HDAC3 (0.47) EGFRNPC1HPGDMAPK1HTT
SCHEMBL201692 0.79 NPC1 (0.57) EGFRNPC1HPGDMAPK1HTT
SCHEMBL18269260 0.78 DGKA (0.47) EGFRALOX5
SCHEMBL7615859 0.78 ALOX5 (0.43) EGFRNPC1HPGDMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104194413-A Pigment preparations MERCK PATENT GMBH 2014-12-10 CN disclosed
EP-2512397-A1 PLASTIC PRESSURE VESSEL FOR BIOPHARMACEUTICAL APPLICATIONS AND METHODS THEREOF 3M Innovative Properties Company (US) 2012-10-24 EP disclosed
WO-2011084176-A1 PLASTIC PRESSURE VESSEL FOR BIOPHARMACEUTICAL APPLICATIONS AND METHODS THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-07-14 WO disclosed
WO-2009033694-A2 CABLE COMPRISING BEDDING WITH REDUCED AMOUNT OF VOLATILE COMPOUNDS BOREALIS TECHNOLOGY OY (FI) 2009-03-19 WO disclosed