SCHEMBL26187807

SCHEMBL26187807

C=C(C)C(=O)OCC1CCC(CC2CCC(COC(=O)C(=C)C)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
TSHR P16473 4/20 0.42
THRB P10828 1/20 0.40
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
SLC1A3 P43003 2/20 0.30
SLC1A2 P43004 2/20 0.30
SLC1A1 P43005 2/20 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
SCHEMBL12975815 1.00 ALDH1A1 (0.55) ALDH1A1TSHRTHRBLMNACYP3A4
SCHEMBL12269715 0.94 ALDH1A1 (0.60) ALDH1A1TSHRTHRBLMNACYP3A4
SCHEMBL496421 0.94 ALDH1A1 (0.60) ALDH1A1TSHRTHRBLMNACYP3A4
SCHEMBL18503346 0.93 ALDH1A1 (0.49) ALDH1A1TSHRTHRBLMNA
SCHEMBL12604035 0.93 ALDH1A1 (0.49) ALDH1A1TSHRTHRBLMNA
SCHEMBL13080336 0.93 ALDH1A1 (0.49) ALDH1A1TSHRTHRBLMNACYP3A4
SCHEMBL815950 0.93 ALDH1A1 (0.49) ALDH1A1TSHRTHRBLMNA
SCHEMBL18309889 0.89 ALDH1A1 (0.55) ALDH1A1TSHRTHRBLMNACYP3A4
SCHEMBL13289643 0.89 ALDH1A1 (0.55) ALDH1A1TSHRTHRBLMNACYP3A4
SCHEMBL19844237 0.89 ALDH1A1 (0.55) ALDH1A1TSHRTHRBLMNACYP3A4

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-11739269-B2 Additive and application thereof DAXIN MATERIALS CORPORATION (TW) 2023-08-29 US disclosed