SCHEMBL28626541

SCHEMBL28626541

CC(=O)Oc1ccc(OP(=O)(OCc2ccccc2)OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
ELANE P08246 1/20 0.57
MAOB P27338 1/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 2/20 0.49
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SRD5A2 P31213 1/20 0.47
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
HSP90AA1 P07900 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL2987983 0.84 NR4A2 (0.65) SMN1; SMN2NPC1RAB9AMAOBKMT2A
SCHEMBL2350906 0.83 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AELANEMAOB
SCHEMBL23671644 0.83 MAOB (0.47) SMN1; SMN2NPC1RAB9AMAOBKMT2A
SCHEMBL4220649 0.83 NR4A2 (0.63) SMN1; SMN2NPC1RAB9AMAOBKMT2A
SCHEMBL28628955 0.82 SRC (0.48) SMN1; SMN2NPC1RAB9AELANEMAOB
SCHEMBL9568480 0.82 TSHR (0.57) MAOBKMT2AMEN1ALDH1A1TSHR
Silver SCHEMBL4220651 0.81 TSHR (0.49) SMN1; SMN2NPC1RAB9AMAOBTSHR
SCHEMBL4231246 0.81 SRD5A2 (0.55) ELANEMAOBGAATSHRHTT
SCHEMBL21419139 0.80 TSHR (0.51) SMN1; SMN2NPC1RAB9AMAOBALDH1A1
SCHEMBL4220394 0.79 SRD5A2 (0.54) ELANEMAOBGAATSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283647-A Prodrug modulators that integrate stress pathways 卡里科生命科学有限责任公司 2023-06-23 CN disclosed
CN-113423685-B Prodrug modulators of integrated stress pathways 卡里科生命科学有限责任公司 2022-11-29 CN disclosed
CN-113423685-A Prodrug modulators of integrated stress pathways 卡里科生命科学有限责任公司 2021-09-21 CN disclosed