SCHEMBL29950792

SCHEMBL29950792

CC(C)CCCOCCC=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 1/20 0.30
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30

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
SCHEMBL216686 0.91 HIF1A (0.38) ALDH1A1TSHRLMNAHIF1ATDP1
SCHEMBL2558988 0.86 ALDH1A1 (0.39) ALDH1A1TSHRTDP1ADH1BADH1C
SCHEMBL215747 0.85 HIF1A (0.36) ALDH1A1TSHRLMNAHIF1A
SCHEMBL26552326 0.84 ALDH1A1 (0.38) ALDH1A1TSHRTDP1ADH1BADH1C
SCHEMBL22564681 0.84 ALDH1A1 (0.38) ALDH1A1TSHRTDP1ADH1BADH1C
SCHEMBL24624963 0.84 ALDH1A1 (0.38) ALDH1A1TSHRTDP1ADH1BADH1C
SCHEMBL17987840 0.84 ALDH1A1 (0.38) ALDH1A1TSHRTDP1ADH1BADH1C
SCHEMBL2555836 0.83 HIF1A (0.38) ALDH1A1TSHRHIF1ATDP1ADH1B
SCHEMBL25700335 0.81 TDP1 (0.33) ALDH1A1LMNATDP1
SCHEMBL1192955 0.81 LMNA (0.45) ALDH1A1TSHRLMNATDP1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed