SCHEMBL7734871

SCHEMBL7734871

CC(C)C(OC(C(C)C)C(O)CO)C(O)CO

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL21757441 0.80 TDP1 (0.33) TDP1LMNAL3MBTL1PPARGPPARD
SCHEMBL25054478 0.79 TDP1 (0.36) TDP1LMNAL3MBTL1TSHRKDM4E
SCHEMBL5344355 0.75 TSHR (0.35) TDP1LMNAL3MBTL1TSHR
SCHEMBL22574870 0.74 TDP1 (0.36) TDP1LMNAL3MBTL1TSHRKDM4E
SCHEMBL2306637 0.74 TSHR (0.41) TDP1LMNAL3MBTL1TSHRKDM4E
SCHEMBL12663200 0.72 TDP1 (0.40) TDP1LMNAL3MBTL1PPARGPPARD
SCHEMBL60554 0.72
SCHEMBL283630 0.72
SCHEMBL1089459 0.72
SCHEMBL12330492 0.71 LMNA (0.42) TDP1LMNAL3MBTL1PPARGPPARD

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-6399049-B1 LIQUID 1,2-HYDROXYALKYL AMIDE, ESTER, ETHER, SILICONE OR ALKYL COMPOUND CARRIERS; NONIRRITATING; THE PROCTER & GAMBLE COMPANY 2002-06-04 US disclosed