SCHEMBL19972850

SCHEMBL19972850

O=C(OC1=CCc2c1ccc1c2ccc2ccccc21)c1ccco1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.51
HSD17B10 Q99714 3/20 0.51
ALDH1A1 P00352 5/20 0.46
LMNA P02545 3/20 0.40
GAA P10253 3/20 0.40
KDM4E B2RXH2 5/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 6/20 0.39
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
CSNK1D P48730 1/20 0.38
PIK3CG P48736 1/20 0.38
MAPK10 P53779 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 2/20 0.38
F2 P00734 2/20 0.37
PDGFRB P09619 1/20 0.37

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
SCHEMBL1461967 0.83 KMT2A (0.41) KMT2AHSD17B10ALDH1A1LMNAGAA
SCHEMBL25239580 0.77 ALDH1A1 (0.40) KMT2AALDH1A1LMNAKDM4EMEN1
SCHEMBL16369606 0.76 NPC1 (0.34) LMNAMAPTCSNK1DHPGD
SCHEMBL19972848 0.74 L3MBTL1 (0.36) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL15903547 0.73 HPRT1 (0.44) KMT2AHSD17B10ALDH1A1LMNAKDM4E
SCHEMBL15903864 0.73 NCEH1 (0.39) KMT2AALDH1A1LMNAGAAKDM4E
SCHEMBL15903797 0.71 HPRT1 (0.41) KMT2AHSD17B10ALDH1A1LMNAGAA
SCHEMBL28063309 0.71 KMT2A (0.78) KMT2AHSD17B10ALDH1A1LMNAKDM4E
SCHEMBL19972854 0.70 HSD11B1 (0.37) KMT2AALDH1A1LMNAKDM4EMEN1
SCHEMBL1461844 0.69 HPRT1 (0.50) KMT2AHSD17B10ALDH1A1LMNATSHR

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