SCHEMBL22110975

SCHEMBL22110975

CCCCC(=O)CCC(=O)CCC(=O)CCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 0.55
CES2 O00748 6/20 0.55
KMT2A Q03164 2/20 0.54
MAPT P10636 1/20 0.54
ALDH1A1 P00352 3/20 0.50
TP53 P04637 1/20 0.50
CA1 P00915 1/20 0.48
AKR1B1 P15121 1/20 0.43
FFAR3 O14843 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HAO1 Q9UJM8 1/20 0.43
IAPP P10997 1/20 0.42
PPARG P37231 3/20 0.42
PPARD Q03181 3/20 0.42
PPARA Q07869 3/20 0.42
TSHR P16473 2/20 0.42
GPR84 Q9NQS5 2/20 0.42

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
SCHEMBL8619284 1.00 CES1 (0.55) CES1CES2KMT2AMAPTALDH1A1
SCHEMBL20913016 0.97 CES1 (0.58) CES1CES2KMT2AMAPTALDH1A1
SCHEMBL109288 0.97
Methyl Alcohol SCHEMBL28106956 0.94 CES1 (0.55) CES1CES2KMT2AMAPTALDH1A1
SCHEMBL17473897 0.94 CES1 (0.55) CES1CES2KMT2AMAPTALDH1A1
SCHEMBL23736177 0.94 KMT2A (0.61) CES1CES2KMT2AMAPTALDH1A1
Hydrochloric Acid SCHEMBL28390032 0.94 CES1 (0.55) CES1CES2KMT2AMAPTALDH1A1
SCHEMBL1771855 0.94 CES1 (0.61) CES1CES2KMT2AMAPTALDH1A1
SCHEMBL11872988 0.94 CES1 (0.61) CES1CES2KMT2AMAPTALDH1A1
SCHEMBL23198855 0.92 KMT2A (0.65) CES1CES2KMT2AMAPTALDH1A1

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-3666802-A1 METHOD FOR PRODUCING PURIFIED POLYTETRAFLUOROETHYLENE AQUEOUS DISPERSION LIQUID, METHOD FOR PRODUCING MODIFIED POLYTETRAFLUOROETHYLENE POWDER, METHOD FOR PRODUCING POLYTETRAFLUOROETHYLENE MOLDED BODY, AND COMPOSITION Daikin Industries, Ltd. (JP) 2020-06-17 EP disclosed