SCHEMBL9632703

SCHEMBL9632703

CC(C)CC(C)(C)CC(=O)Oc1ccccc1.[Na]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.43
ELANE P08246 3/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 2/20 0.36
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 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
SCHEMBL9427528 0.80 CYP2C19 (0.47) L3MBTL1ATMELANECYP19A1KMT2A
SCHEMBL28083816 0.80 ELANE (0.47) L3MBTL1ATMELANECYP19A1KMT2A
SCHEMBL4517849 0.79 ELANE (0.42) L3MBTL1ATMELANECYP19A1KMT2A
SCHEMBL2737935 0.79 ATM (0.38) L3MBTL1ATMELANECYP19A1CYP2D6
SCHEMBL2448081 0.78 L3MBTL1 (0.47) L3MBTL1ATMELANECYP19A1KMT2A
SCHEMBL28604278 0.78 L3MBTL1 (0.41) L3MBTL1ATMELANECYP19A1KMT2A
SCHEMBL27357028 0.78 L3MBTL1 (0.45) L3MBTL1ATMELANECYP19A1CYP2D6
SCHEMBL13053698 0.77 L3MBTL1 (0.42) L3MBTL1ATMELANECYP19A1CYP2D6
SCHEMBL6153657 0.77 CYP1A2 (0.35) ATMELANEKMT2AALDH1A1GAA
SCHEMBL28599266 0.76 L3MBTL1 (0.41) L3MBTL1ATMELANECYP19A1KMT2A

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-5132036-A Pouches which release bleach and detergent during laundering LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1992-07-21 US disclosed