SCHEMBL31626953

SCHEMBL31626953

C#CCCCCC(=O)OCCCn1nnc(C(=O)OCC(CC)CCCC)c1C(=O)OCC(CC)CCCC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
CYP3A4 P08684 3/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 5/20 0.37
CA2 P00918 1/20 0.37
LMNA P02545 4/20 0.36
MAPK1 P28482 4/20 0.36
HSD17B10 Q99714 1/20 0.36
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
RECQL P46063 1/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 1/20 0.32
DGKA P23743 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
SCHEMBL31626903 0.99 CYP3A4 (0.44) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL31626998 0.86 CYP3A4 (0.40) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL21228617 0.82 ALDH1A1 (0.39) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL31627017 0.80 ALDH1A1 (0.46) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL21220008 0.80 ALDH1A1 (0.41) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL21220020 0.78 ALDH1A1 (0.44) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL21220007 0.77 ALDH1A1 (0.40) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL21228643 0.76 ALDH1A1 (0.39) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL21228641 0.69 ALDH1A1 (0.47) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL28293393 0.68 ALDH1A1 (0.62) TSHRCYP3A4ATMTDP1ALDH1A1

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
WO-2025125296-A1 NEW TETHERED PLASTICIZER-LIKE AGENTS & USES THEREOF UNIVERSITE DE GENEVE (CH) 2025-06-19 WO disclosed