SCHEMBL30768992

SCHEMBL30768992

CC1(C)OB(c2cccc3c2CC3)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 8/20 0.37
LIPG Q9Y5X9 8/20 0.37
P2RX7 Q99572 1/20 0.37
MAPK1 P28482 1/20 0.35
ORAI1 Q96D31 1/20 0.34
ORAI2 Q96SN7 1/20 0.34
ORAI3 Q9BRQ5 1/20 0.34
JAK2 O60674 3/20 0.32
BTK Q06187 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
BACE1 P56817 1/20 0.31
ROCK1 Q13464 1/20 0.30
CA12 O43570 1/20 0.30

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
SCHEMBL1900607 0.90 BCL2L1 (0.42) LPLLIPGP2RX7MAPK1JAK2
SCHEMBL12667047 0.90 P2RX7 (0.39) LPLLIPGP2RX7MAPK1JAK2
SCHEMBL29432478 0.84 CYP2A6 (0.40) LPLLIPGP2RX7MAPK1JAK2
SCHEMBL31394843 0.82 MAPK1 (0.41) LPLLIPGP2RX7MAPK1BACE1
SCHEMBL31394538 0.82 MAPK1 (0.41) LPLLIPGP2RX7MAPK1CA12
SCHEMBL31394907 0.82 MAPK1 (0.41) LPLLIPGP2RX7MAPK1CA12
SCHEMBL31394111 0.82 MAPK1 (0.41) LPLLIPGP2RX7MAPK1BACE1
SCHEMBL16760796 0.81 CD44 (0.47) P2RX7
SCHEMBL31707905 0.80 ALDH1A1 (0.37) LPLLIPGP2RX7MAPK1JAK2
SCHEMBL508291 0.80 ALDH1A1 (0.37) LPLLIPGP2RX7MAPK1JAK2

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