SCHEMBL9527225

SCHEMBL9527225

CC(C)(O)C#Cc1ccccc1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ TRIM24 O15164 1/20 0.39
▸ TRIM33 Q9UPN9 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ERN1 O75460 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ PTGES2 Q9H7Z7 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TLR2 O60603 1/20 0.33
▸ TLR1 Q15399 1/20 0.33
▸ TLR6 Q9Y2C9 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ CA1 P00915 1/20 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
SCHEMBL15427894 0.85 LMNA (0.44) LMNAKMT2AMEN1THRBBLM
SCHEMBL15675346 0.79 KMT2A (0.39) LMNAKMT2AMEN1THRBBLM
SCHEMBL15427902 0.78 LMNA (0.44) LMNAKMT2AMEN1THRBBLM
SCHEMBL9699037 0.75 LMNA (0.50) LMNAKMT2AMEN1THRBBLM
SCHEMBL31424565 0.73 ERN1 (0.35) LMNAKMT2AMEN1THRBBLM
SCHEMBL14268119 0.73 TSHR (0.45) KMT2AMEN1ALDH1A1TSHRL3MBTL1
SCHEMBL5346211 0.73 ALDH1A1 (0.40) LMNABLMTDP1ALDH1A1TSHR
SCHEMBL28273863 0.72 TSHR (0.59) LMNAKMT2AMEN1THRBBLM
SCHEMBL29789973 0.72 CYP3A4 (0.48) KMT2AMEN1TDP1ALDH1A1TSHR
SCHEMBL28616270 0.72 FFAR1 (0.37) ALDH1A1L3MBTL1HTTPTGES2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0245918-B1 1,4-DIHYDROPYRIDINE DERIVATIVES GLAXO S.p.A. (IT) 1993-05-05 — — EP disclosed
US-4946851-A 1.4-dihydropyridines GLAXO, S.P.A. (IT) 1990-08-07 — — US disclosed
EP-0245918-A1 1,4-Dihydropyridine derivatives GLAXO S.p.A. (IT) 1987-11-19 — — EP disclosed
Send feedback