SCHEMBL11808409

SCHEMBL11808409

CC(C)(CO)C(=O)OCCCCCO

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.55
CYP4A11 Q02928 3/20 0.55
ACHE P22303 6/20 0.43
TDP1 Q9NUW8 1/20 0.38
NAAA Q02083 1/20 0.35
GAA P10253 1/20 0.34
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
EPHX1 P07099 1/20 0.33
APP P05067 2/20 0.33

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
SCHEMBL11368901 0.92 CYP4F2 (0.48) CYP4F2CYP4A11ACHETDP1ALDH1A1
SCHEMBL20512132 0.86 NAAA (0.52) CYP4F2CYP4A11ACHENAAATSHR
SCHEMBL12794922 0.86 CYP4F2 (0.58) CYP4F2CYP4A11ACHETDP1NAAA
SCHEMBL1164426 0.86 NAAA (0.52) CYP4F2CYP4A11ACHENAAATSHR
SCHEMBL14420951 0.86 CYP4F2 (0.58) CYP4F2CYP4A11ACHETDP1NAAA
Ethylene Glycol SCHEMBL1235795 0.85 NAAA (0.46) CYP4F2CYP4A11ACHENAAATSHR
SCHEMBL7225680 0.84 NAAA (0.48) CYP4F2CYP4A11ACHENAAATSHR
SCHEMBL10044204 0.84 CYP4F2 (0.55) CYP4F2CYP4A11ACHETDP1NAAA
SCHEMBL2533277 0.83 CYP4F2 (0.53) CYP4F2CYP4A11ACHETDP1NAAA
SCHEMBL2533990 0.83 CYP4F2 (0.53) CYP4F2CYP4A11ACHETDP1NAAA

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-3935274-A Process for the continuous preparation of hydroxypivaldehyde HOECHST AKTIENGESELLSCHAFT (DT) 1976-01-27 US disclosed