SCHEMBL19972849

SCHEMBL19972849

O=C(OC1=c2ccc3c4c(ccc3c2C=C1)=CC=CC4)c1ccco1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 15/20 0.34
MAPT P10636 5/20 0.34
F2 P00734 3/20 0.34
HSD17B10 Q99714 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GLA P06280 2/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
TSHR P16473 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
PTPN11 Q06124 1/20 0.32
ALOX15 P16050 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL19972847 0.76 MEN1 (0.31) KMT2AMEN1
SCHEMBL15903863 0.73
SCHEMBL15903546 0.71
SCHEMBL15903796 0.70
SCHEMBL9940809 0.63 PRKDC (0.32) ALDH1A1
SCHEMBL15526804 0.63
SCHEMBL31117605 0.63
SCHEMBL9941388 0.62 KDM4E (0.30) KDM4EPOLB
SCHEMBL28342569 0.60 KMT2A (0.48) KMT2AMAPTHSD17B10ALDH1A1KDM4E
SCHEMBL670186 0.60 KDM4E (0.31) ALDH1A1KDM4EGAATSHRRAB9A

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-2018053321-A1 PARTICLES, COMPOSITIONS, AND METHODS FOR OPHTHALMIC AND/OR OTHER APPLICATIONS KALA PHARMACEUTICALS, INC. (US) 2018-03-22 WO claimed