SCHEMBL31035356

SCHEMBL31035356

CCc1c(C)ccc2oc(N3CCC(C)(C)CC3)c(C)c(=O)c12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.37
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34
AKT3 Q9Y243 1/20 0.34
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
POLB P06746 2/20 0.31
RECQL P46063 2/20 0.31
BLM P54132 2/20 0.31
KMT2A Q03164 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
APEX1 P27695 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
SCHEMBL31035358 0.86 P2RY12 (0.40) KDM4EMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL30307567 0.79 AKT1 (0.38) PIK3CAAKT1AKT2AKT3
SCHEMBL30081607 0.73 AKT1 (0.46) PIK3CAAKT1AKT2AKT3KDM4E
SCHEMBL31035410 0.72 KDM4E (0.44) PIK3CAAKT1AKT2AKT3KDM4E
SCHEMBL31035496 0.71
SCHEMBL29003900 0.69 PIK3CA (0.43) PIK3CAAKT1AKT2AKT3KDM4E
SCHEMBL31035103 0.68 NUDT1 (0.37) KDM4EMEN1ALDH1A1POLBRECQL
SCHEMBL31035343 0.68 PIM1 (0.40) PIK3CAAKT1AKT2AKT3MEN1
SCHEMBL16243219 0.64 MAOA (0.52) KDM4EALDH1A1POLBRECQLL3MBTL1
SCHEMBL30564395 0.64 TP53 (0.36) PIK3CAAKT1AKT2AKT3TDP1

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-4680612-A1 CHEMICAL COMPOUNDS AN2 Therapeutics, Inc. (US) 2026-01-21 EP disclosed
WO-2024192309-A1 CHEMICAL COMPOUNDS REACTIVE BIOSCIENCES, INC. (US) 2024-09-19 WO disclosed