SCHEMBL4058366

SCHEMBL4058366

CCOc1cc2oc(=O)c(F)c(C)c2c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.47
▸ BRD4 O60885 1/20 0.42
▸ HSD17B3 P37058 1/20 0.41
▸ ALDH1A1 P00352 8/20 0.40
▸ KDM4E B2RXH2 8/20 0.40
▸ HPGD P15428 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TSHR P16473 2/20 0.38
▸ PPARG P37231 1/20 0.38
▸ NCOA2 Q15596 1/20 0.38
▸ NCOA1 Q15788 1/20 0.38
▸ MAOB P27338 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL2454830 0.84 ALDH1A1 (0.50) RXFP1BRD4HSD17B3ALDH1A1KDM4E
SCHEMBL5483956 0.82 MAOB (0.56) BRD4ALDH1A1KDM4EMAPK1MAPT
SCHEMBL21379597 0.78 HSD17B3 (0.46) RXFP1BRD4HSD17B3ALDH1A1KDM4E
SCHEMBL1147722 0.76 HSD17B3 (0.51) RXFP1HSD17B3ALDH1A1KDM4EHPGD
SCHEMBL3063473 0.76 HSD17B3 (0.44) RXFP1BRD4HSD17B3ALDH1A1KDM4E
SCHEMBL25190307 0.73 HSD17B3 (0.42) RXFP1BRD4HSD17B3ALDH1A1KDM4E
SCHEMBL22011788 0.73 PGAM1 (0.42) RXFP1ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL22010968 0.72 PGAM1 (0.42) —
SCHEMBL22011226 0.71 HMGCR (0.36) RXFP1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL22010964 0.69 KDM4E (0.37) RXFP1ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220409668-A1 GENETICALLY MODIFIED HUMAN STEM CELL EXPRESSING A MUTANT HUMAN CYTOCHROME P450 2B6 PROTEIN AND USE THEREOF IN THE TREATMENT OF CANCER INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2022-12-29 — — US disclosed
WO-2021074162-A1 GENETICALLY MODIFIED HUMAN STEM CELL EXPRESSING A MUTANT HUMAN CYTOCHROME P450 2B6 PROTEIN AND USE THEREOF IN THE TREATMENT OF CANCER ASSISTANCE PUBLIQUE-HOPITAUX DE PARIS (FR) 2021-04-22 — — WO disclosed
WO-2021074167-A1 GENETICALLY MODIFIED HUMAN STEM CELL EXPRESSING A MUTANT HUMAN CYTOCHROME P450 2B6 PROTEIN AND USE THEREOF IN THE TREATMENT OF CANCER ASSISTANCE PUBLIQUE-HOPITAUX DE PARIS (FR) 2021-04-22 — — WO disclosed
EP-2705052-B1 MUTANT CYTOCHROME P450 2B6 PROTEINS AND USES THEREOF INST NAT DE LA SANTÉ ET DE LA RECH MÉDICALE (INSERM) (FR) 2017-11-15 — — EP disclosed
US-9243231-B2 Mutant cytochrome P450 2B6 proteins and uses thereof INSTITUT NATIONAL DE LA SANTÉ ET DE LA RECHERCHE MÉDICALE (INSERM) (FR) 2016-01-26 — — US disclosed
US-20140127180-A1 MUTANT CYTOCHROME P450 2B6 PROTEINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-05-08 — — US disclosed
EP-2705052-A1 MUTANT CYTOCHROME P450 2B6 PROTEINS AND USES THEREOF Institut National de la Sante et de la Recherche Medicale (INSERM) (FR) 2014-03-12 — — EP disclosed
WO-2012150326-A1 MUTANT CYTOCHROME P450 2B6 PROTEINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2012-11-08 — — WO disclosed
WO-2009106882-A1 CYTOCHROME B5 KNOCKOUT ANIMAL MODELS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-09-03 — — WO disclosed
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