SCHEMBL30768465

SCHEMBL30768465

O=C(O)C(OCc1cccc(OCc2ccccc2)c1)C1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.48
▸ NR4A2 P43354 1/20 0.48
▸ MAOB P27338 2/20 0.46
▸ CYP4F2 P78329 1/20 0.46
▸ CYP4A11 Q02928 1/20 0.46
▸ PTGES O14684 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ SPHK1 Q9NYA1 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SPHK2 Q9NRA0 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ SMPD1 P17405 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ GPR132 Q9UNW8 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL30769418 0.89 PTGES (0.47) FFAR1NR4A2MAOBPTGESPOLB
SCHEMBL30768907 0.74 MAOB (0.41) MAOBPTGESSMN1; SMN2KMT2AKDM4E
SCHEMBL4883970 0.74 NR1H4 (0.53) SPHK1KMT2ASPHK2
Carbamic Acid SCHEMBL5490536 0.72 ALDH1A1 (0.59) FFAR1SPHK1SMN1; SMN2KMT2ASPHK2
SCHEMBL5880829 0.72 FFAR1 (0.57) FFAR1NR4A2MAOBCYP4F2CYP4A11
SCHEMBL8411917 0.71 POLB (0.62) NR4A2MAOBPOLBPTPN1SPHK1
SCHEMBL15761340 0.71 BCHE (0.70) FFAR1NR4A2MAOBCYP4F2CYP4A11
SCHEMBL8190935 0.71 NR4A2 (0.60) NR4A2MAOBPTPN1KMT2ASPHK2
SCHEMBL1635888 0.70 FOXM1 (0.58) CYP4F2CYP4A11SPHK1SMN1; SMN2KMT2A
SCHEMBL10110920 0.70 METAP2 (0.47) SMN1; SMN2KMT2A

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
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