SCHEMBL23558706

SCHEMBL23558706

C=C(C)C(=O)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(C)(C)O3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.47
HIF1A Q16665 4/20 0.43
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 6/20 0.39
MAPT P10636 4/20 0.39
TSHR P16473 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 3/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GBA1 P04062 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MAOA P21397 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
SCHEMBL23559172 0.94 ELANE (0.48) ELANEHIF1AKMT2AMAPTTSHR
SCHEMBL23558705 0.88 ELANE (0.43) ELANELMNAGAAKMT2AMAPT
SCHEMBL23558724 0.86 ELANE (0.43) ELANELMNAKMT2AMAPTTSHR
SCHEMBL23558725 0.82 TDP1 (0.42) ELANELMNAGAAKMT2AMAPT
SCHEMBL23558750 0.81 HIF1A (0.44) HIF1ALMNAGAAKMT2AMAPT
SCHEMBL12196750 0.81 ELANE (0.67) ELANELMNAKMT2AMAPTATM
SCHEMBL17433317 0.81 ELANE (0.67) ELANELMNAKMT2AMAPTATM
SCHEMBL23558958 0.81 GAA (0.41) ELANELMNAGAAKMT2AMAPT
SCHEMBL2267166 0.78 LMNA (0.48) LMNAGAAKMT2AMAPTTSHR
SCHEMBL22250958 0.76 ELANE (0.61) ELANELMNAKMT2AMAPTATM

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
US-20210191266-A1 RESIN, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN, AND COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-06-24 US disclosed