SCHEMBL31035385

SCHEMBL31035385

Cc1cc(C(C)O)c2oc(C3CCOCC3)cc(=O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.41
PIK3CD O00329 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
PRKDC P78527 1/20 0.41
CYP1B1 Q16678 3/20 0.38
RORC P51449 1/20 0.37
KMT2A Q03164 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CYP1A1 P04798 2/20 0.34
CYP1A2 P05177 2/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL25170996 0.90 CYP1B1 (0.47) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL31035373 0.88 PIK3CA (0.41) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL25182222 0.86 PIK3CA (0.40) PIK3CAPIK3CDPIK3CBPIK3CGCYP1B1
SCHEMBL25178255 0.86 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBPIK3CGCYP1B1
SCHEMBL25177482 0.81 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL30373681 0.81 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL31035466 0.80 CYP1B1 (0.38) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL31035539 0.79 CYP1B1 (0.39) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL30994804 0.78 CYP1B1 (0.47) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL25177490 0.78 CYP1B1 (0.47) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC

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