SCHEMBL9754935

SCHEMBL9754935

C=CC(O)CC(=O)CC(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 2/20 0.33
POLB P06746 1/20 0.33
POLA1 P09884 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
RECQL P46063 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL10587489 0.85
SCHEMBL16447084 0.85
SCHEMBL9871855 0.83 GAA (0.48) TSHRLMNAALDH1A1MGAMGAA
SCHEMBL9375070 0.77 TSHR (0.39) TSHRLMNAKDM4EHSD17B10KMT2A
SCHEMBL5497077 0.74 TSHR (0.39) TSHRLMNAALDH1A1MGAMGAA
SCHEMBL14523084 0.74 TSHR (0.39) TSHRLMNAALDH1A1MGAMGAA
SCHEMBL23391807 0.74 MGAM (0.44) TSHRLMNAALDH1A1MGAMGAA
SCHEMBL13530805 0.74
SCHEMBL11605695 0.73 MGAM (0.32) TSHRLMNAALDH1A1MGAMGAA
SCHEMBL27631224 0.72 TSHR (0.54) TSHRLMNAALDH1A1KDM4EKMT2A

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-4615847-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS Merck Sharp & Dohme LLC (US) 2025-09-17 EP disclosed
WO-2024103010-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS MERCK SHARP & DOHME LLC (US) 2024-05-16 WO disclosed
WO-1991013616-A1 NOVEL HMG-CoA REDUCTASE INHIBITORS RORER INTERNATIONAL (OVERSEAS) INC. (US) 1991-09-19 WO disclosed
US-4996234-A Anticholesterol agents RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-02-26 US disclosed
US-4900754-A ANTICHOLESTEROL AGENTS RORER PHARMACEUTICAL CORP. (US) 1990-02-13 US disclosed
US-4094886-A Process for producing allyl alcohol derivatives useful in prostaglandin synthesis (ZAIDANHOJIN) SAGAMI CHEMICAL RESEARCH CENTER (JA) 1978-06-13 US disclosed
US-4073799-A Process for producing 3-formylcyclopentanone derivatives (ZAIDANHOJIN) SAGAMI CHEMICAL RESEARCH CENTER (JA) 1978-02-14 US disclosed