SCHEMBL30769282

SCHEMBL30769282

CCOC(=O)C1(OCc2cccc(OCc3ccccc3)c2)CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.48
BCHE P06276 1/20 0.48
POLB P06746 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
MAOB P27338 1/20 0.46
ADAM17 P78536 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2D6 P10635 1/20 0.46
FFAR1 O14842 1/20 0.46
NR4A2 P43354 1/20 0.45
LTB4R Q15722 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45

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
SCHEMBL7449956 0.87 SMN1; SMN2 (0.49) POLBKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL30769298 0.86 MAOB (0.52) PTGESBCHEKDM4EALDH1A1MAOB
SCHEMBL6384064 0.82 MRGPRX4 (0.49) POLBKDM4EALDH1A1LMNAHTT
SCHEMBL7807431 0.80 ALOX5 (0.55) KDM4EMAOBADAM17
SCHEMBL6440684 0.77 ALOX5 (0.56) KDM4EMAOBADAM17NR4A2
SCHEMBL6172920 0.76 KMT2A (0.50) POLBALDH1A1LMNAHTTL3MBTL1
SCHEMBL24901890 0.74 ADAM17 (0.49) BCHEPOLBLMNAMAOBADAM17
SCHEMBL1008116 0.73 LTB4R (0.61) BCHEKDM4EALDH1A1LMNAMAOB
SCHEMBL7810873 0.72 ALOX5 (0.67) KDM4EALDH1A1LMNAADAM17
SCHEMBL7708009 0.72 CYP4F2 (0.53) PTGESBCHEPOLBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4543871-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND USE THEREOF Relay Therapeutics, Inc. (US) 2025-04-30 EP disclosed
WO-2024006781-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND USE THEREOF RELAY THERAPEUTICS, INC. (US) 2024-01-04 WO disclosed