SCHEMBL11097871

SCHEMBL11097871

COc1ccc(C2OC(=O)C(CC(C)C)(CC(C)C)C(=O)O2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
ELANE P08246 1/20 0.38
ABL1 P00519 1/20 0.37
KMT2A Q03164 1/20 0.37
RIN1 Q13671 1/20 0.37
MAPT P10636 5/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
HPGD P15428 2/20 0.36
TP53 P04637 1/20 0.36
MAOA P21397 1/20 0.36
PTGS2 P35354 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
DDB1 Q16531 1/20 0.35

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
SCHEMBL5180445 0.83 ELANE (0.51) HSD11B1ELANEABL1KMT2ARIN1
SCHEMBL1828953 0.79 TDP1 (0.41) HSD11B1ELANEKMT2AMAPTALDH1A1
SCHEMBL1603072 0.79 HSD11B1 (0.49) HSD11B1ABL1KMT2ARIN1MAPT
Malonic Acid SCHEMBL6825034 0.75 ELANE (0.43) ELANEKMT2AMAPTLMNAALDH1A1
SCHEMBL8406338 0.70 TDP1 (0.38) LMNAALDH1A1HSD17B10HPGD
SCHEMBL11100800 0.70 NQO1 (0.44) MAPTLMNAALDH1A1HSD17B10HPGD
SCHEMBL3428777 0.69 LMNA (0.52) HSD11B1ABL1KMT2ARIN1MAPT
SCHEMBL1719139 0.66 HTR7 (0.41) HSD11B1KMT2AMAPTLMNAALDH1A1
SCHEMBL11100337 0.66 NQO1 (0.47) MAPTLMNAALDH1A1HSD17B10HPGD
SCHEMBL15016524 0.66 GLA (0.39) HSD11B1ABL1KMT2ARIN1MAPT

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-4457911-A Dialkyl malonates as organic sunscreen adjuvants VAN DYK & COMPANY INC. (US) 1984-07-03 US disclosed