SCHEMBL31035685

SCHEMBL31035685

Cc1cc(C(C)Br)c2oc(C3CC3)c(C)c(=O)c2c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.36
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
AKT3 Q9Y243 1/20 0.33
SIGMAR1 Q99720 1/20 0.31
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30
KMT2A Q03164 1/20 0.30
PIK3CB P42338 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
SCHEMBL30373780 0.91 PIK3CA (0.35) PIK3CAAKT1AKT2AKT3
SCHEMBL25178376 0.91 PIK3CA (0.35) PIK3CAAKT1AKT2AKT3
SCHEMBL31035499 0.87 PIK3CA (0.38) PIK3CAAKT1AKT2AKT3SIGMAR1
SCHEMBL30889677 0.87 PIK3CA (0.38) PIK3CAAKT1AKT2AKT3SIGMAR1
SCHEMBL25184861 0.86 PIK3CA (0.41) PIK3CAAKT1AKT2AKT3PIK3CB
SCHEMBL30373211 0.86 PIK3CA (0.41) PIK3CAAKT1AKT2AKT3PIK3CB
SCHEMBL25679258 0.81 PIK3CA (0.40) PIK3CAAKT1AKT2AKT3PIK3CB
SCHEMBL31035360 0.81 ESR1 (0.37) SIGMAR1KMT2A
SCHEMBL30889697 0.79 PIK3CB (0.33) PIK3CAAKT1AKT2AKT3PIK3CB
SCHEMBL25181501 0.78 PIK3CA (0.37) PIK3CAAKT1AKT2AKT3

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