SCHEMBL11208899

SCHEMBL11208899

COC(=O)C(OC(C)=O)c1noc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 11/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 3/20 0.41
MAPT P10636 2/20 0.41
NQO1 P15559 1/20 0.39
EDNRA P25101 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 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
SCHEMBL8664406 0.80 HIF1A (0.40) HIF1ASMN1; SMN2TP53MAPTKDM4E
SCHEMBL11210561 0.80 HIF1A (0.45) HIF1ASMN1; SMN2TP53MAPTNQO1
SCHEMBL11208465 0.79 HIF1A (0.44) HIF1ASMN1; SMN2TP53MAPTNQO1
SCHEMBL24796249 0.77 FAAH (0.39) HIF1ASMN1; SMN2TP53MAPTKDM4E
SCHEMBL11211287 0.76 ATM (0.43) HIF1ASMN1; SMN2TP53MAPTKDM4E
SCHEMBL5096529 0.75 HIF1A (0.41) HIF1ASMN1; SMN2TP53MAPTNQO1
SCHEMBL10645672 0.70 HIF1A (0.41) HIF1ASMN1; SMN2TP53MAPTKDM4E
SCHEMBL8997426 0.70 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL7512529 0.70 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL7512534 0.70 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1CYP3A4

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
EP-0094833-A2 Novel 1,2-benzisoxazole derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1983-11-23 EP disclosed