SCHEMBL19972854

SCHEMBL19972854

O=C(CCS(=O)(=O)c1ccccc1)OC1=CCc2c1ccc1c2ccc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.37
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
RAB9A P51151 3/20 0.34
POLB P06746 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL25239580 0.80 ALDH1A1 (0.40) KMT2AMAPTLMNARAB9ASMN1; SMN2
SCHEMBL16369606 0.77 NPC1 (0.34) MAPTLMNAL3MBTL1RAB9ASMN1; SMN2
SCHEMBL1461967 0.76 KMT2A (0.41) KMT2AMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL19972848 0.74 L3MBTL1 (0.36) KMT2AMAPTL3MBTL1RAB9ASMN1; SMN2
SCHEMBL15903547 0.71 HPRT1 (0.44) KMT2AMAPTLMNAL3MBTL1ALDH1A1
SCHEMBL19972850 0.70 KMT2A (0.51) KMT2AMAPTLMNAPOLBALDH1A1
SCHEMBL22362035 0.67 KMT2A (0.67) HSD11B1KMT2AMAPTLMNAL3MBTL1
SCHEMBL15903797 0.67 HPRT1 (0.41) KMT2AMAPTLMNAL3MBTL1ALDH1A1
SCHEMBL31464018 0.67 ALDH1A1 (0.46) KMT2AMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL15903864 0.66 NCEH1 (0.39) KMT2AMAPTLMNAL3MBTL1RAB9A

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