SCHEMBL7932802

SCHEMBL7932802

CC(C)(OCCO)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.41
CYP4F2 P78329 6/20 0.40
CYP4A11 Q02928 6/20 0.40
PPARG P37231 2/20 0.39
TSHR P16473 4/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
HIF1A Q16665 1/20 0.35
PPARD Q03181 1/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.32
SLC16A3 O15427 2/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31

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
SCHEMBL28695124 0.88 CYP4F2 (0.49) PPARACYP4F2CYP4A11PPARGTSHR
SCHEMBL15105911 0.85 PPARA (0.35) PPARACYP4F2CYP4A11PPARGTSHR
SCHEMBL22609458 0.82 LMNA (0.38) PPARACYP4F2CYP4A11PPARGTSHR
SCHEMBL25375152 0.80 PPARA (0.35) PPARACYP4F2CYP4A11PPARGTSHR
SCHEMBL30997236 0.80 ALDH1A1 (0.37) PPARACYP4F2CYP4A11PPARGTSHR
SCHEMBL1869794 0.80 TSHR (0.39) PPARACYP4F2CYP4A11PPARGTSHR
Acetic Acid SCHEMBL28275735 0.79 FFAR3 (0.37) PPARACYP4F2CYP4A11PPARGTSHR
SCHEMBL3291432 0.78 ALDH1A1 (0.43) PPARACYP4F2CYP4A11PPARGTSHR
Ammonia Solution, Strong SCHEMBL28885229 0.78 TSHR (0.38) PPARACYP4F2CYP4A11PPARGTSHR
SCHEMBL254199 0.77 CYP4F2 (0.43) PPARACYP4F2CYP4A11PPARGTSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114341215-B Curable composition 株式会社日本触媒 2024-12-27 CN disclosed
US-6191321-B1 PASSING METHYL 3-HYDROXYPROPIONATE TO A HYDROGENATION ZONE AND CONTACTING WITH HYDROGEN IN THE PRESENCE OF A COPPER ZINC OXIDE HYDROGENATION CATALYST TO PRODUCE HYDROGENATION MIXTURE CONTAINING 1,3-PROPANEDIOL AND RECOVERING THE 1,3-PROPANEDIOL SHELL OIL COMPANY 2001-02-20 US disclosed