SCHEMBL9644802

SCHEMBL9644802

C#CC(O)CCCC(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 3/20 0.39
ALDH1A1 P00352 1/20 0.39
PABPC1 P11940 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
SLC1A1 P43005 1/20 0.35
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34
GLA P06280 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL25274584 0.94 TSHR (0.50) TSHRL3MBTL1LMNAALDH1A1PABPC1
SCHEMBL28993061 0.88 TSHR (0.48) TSHRL3MBTL1LMNAALDH1A1KMT2A
SCHEMBL13329475 0.88 TSHR (0.48) TSHRL3MBTL1LMNAALDH1A1KMT2A
SCHEMBL30449085 0.82 L3MBTL1 (0.39) TSHRL3MBTL1LMNAALDH1A1PABPC1
SCHEMBL4570489 0.81 CYP1A2 (0.48) TSHRL3MBTL1LMNAALDH1A1KMT2A
SCHEMBL3409801 0.81 LMNA (0.50) TSHRLMNAALDH1A1
SCHEMBL16134218 0.79 TSHR (0.50) TSHRL3MBTL1LMNAALDH1A1PABPC1
SCHEMBL27409888 0.79 TSHR (0.50) TSHRL3MBTL1LMNAALDH1A1PABPC1
SCHEMBL13707524 0.78 ALDH1A1 (0.38) LMNAALDH1A1KMT2AMEN1
SCHEMBL8432394 0.77 TSHR (0.64) TSHRL3MBTL1LMNAALDH1A1PABPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4622947-A1 ENAMINE N-OXIDE TOOLS FOR TARGET IDENTIFICATION APPLICATIONS Dana-Farber Cancer Institute, Inc. (US) 2025-10-01 EP disclosed
WO-2024112754-A1 ENAMINE N-OXIDE TOOLS FOR TARGET IDENTIFICATION APPLICATIONS DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-05-30 WO disclosed
WO-2024112754-A1 ENAMINE N-OXIDE TOOLS FOR TARGET IDENTIFICATION APPLICATIONS DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-05-30 WO disclosed
EP-0296580-B1 PHENYLENE, FURYL, AND THIENYL LEUKOTRIENE B4 ANALOGUES G.D. Searle & Co. (US) 1992-11-11 EP disclosed
US-4895869-A ANTIINFLAMMATORY C. D. SEARLE & CO. (US) 1990-01-23 US disclosed
EP-0296580-A2 Phenylene, furyl, and thienyl leukotriene B4 analogues G.D. Searle & Co. (US) 1988-12-28 EP disclosed
US-4791133-A ANTIINFLAMMATORY AGENTS G. D. SEARLE & CO. (US) 1988-12-13 US disclosed