SCHEMBL30940312

SCHEMBL30940312

CC(=O)c1cc(C)cc2c(=O)c3c(oc12)-c1ccc(F)cc1CC3

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 4/20 0.34
▸ PIK3CA P42336 3/20 0.34
▸ SRD5A1 P18405 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ CDK2 P24941 3/20 0.31
▸ NOTUM Q6P988 1/20 0.31
▸ MAPK14 Q16539 2/20 0.31
▸ PTAFR P25105 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 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
SCHEMBL31145023 0.86 RAB9A (0.40) PIK3CASMN1; SMN2TP53HSD17B10KDM4E
SCHEMBL30940300 0.84 SRD5A1 (0.34) DHODHPIK3CASRD5A1SMN1; SMN2TP53
SCHEMBL30940290 0.82 PIK3CA (0.39) DHODHPIK3CASRD5A1SMN1; SMN2TP53
SCHEMBL30940294 0.80 PIK3CA (0.37) DHODHPIK3CASRD5A1CDK2
SCHEMBL30940286 0.76 PIK3CA (0.65) PIK3CA
SCHEMBL30940295 0.75 PIK3CA (0.39) DHODHPIK3CASMN1; SMN2MAPK14NPC1
SCHEMBL31035315 0.72 PIK3CA (0.61) PIK3CASMN1; SMN2
SCHEMBL31284141 0.71 MAPK14 (0.34) MAPK14
SCHEMBL31284613 0.71 RAB9A (0.42) SMN1; SMN2TP53KDM4ENPC1ALDH1A1
SCHEMBL31145051 0.70 ALDH1A1 (0.37) PIK3CASMN1; SMN2TP53HSD17B10CDK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118359631-A Polycyclic PI3K alpha inhibitors 轩竹生物科技股份有限公司 2024-07-19 — — CN disclosed
Send feedback