SCHEMBL31035274

SCHEMBL31035274

Cc1cc(C(C)O)c2oc(C(C)C)c(C)c(=O)c2c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.36
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
AKT3 Q9Y243 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GPR55 Q9Y2T6 1/20 0.31
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
CSNK2A2 P19784 2/20 0.31
CSNK2B P67870 2/20 0.31
CSNK2A1 P68400 2/20 0.31
CDK2 P24941 1/20 0.31
PIK3CB P42338 2/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CG P48736 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
SCHEMBL31035016 0.85 PIK3CA (0.34) PIK3CAAKT1AKT2AKT3GPR55
SCHEMBL31035774 0.81 AKT1 (0.37) PIK3CAAKT1AKT2AKT3KDM4E
SCHEMBL31035594 0.79 ESR2 (0.39) ESR1ESR2CSNK2A2CSNK2BCSNK2A1
SCHEMBL31035338 0.78 KDM4E (0.35) PIK3CAAKT1AKT2AKT3KDM4E
SCHEMBL31035499 0.78 PIK3CA (0.38) PIK3CAAKT1AKT2AKT3PIK3CB
SCHEMBL30889677 0.78 PIK3CA (0.38) PIK3CAAKT1AKT2AKT3PIK3CB
SCHEMBL24912998 0.77 ALDH1A1 (0.49) PIK3CAAKT1AKT2AKT3KDM4E
SCHEMBL31035409 0.77 ALDH1A1 (0.49) PIK3CAAKT1AKT2AKT3KDM4E
SCHEMBL30893165 0.77 ALDH1A1 (0.49) PIK3CAAKT1AKT2AKT3KDM4E
SCHEMBL23887394 0.77 PIK3CA (0.34) PIK3CAAKT1AKT2AKT3CSNK2A2

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