SCHEMBL6561939

SCHEMBL6561939

CCCCCCCCCCCC[PH](=O)c1cccc2cc3cccc(O)c3c(O)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.49
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 3/20 0.49
DNMT1 P26358 1/20 0.49
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
BID P55957 3/20 0.35
BCL2L1 Q07817 3/20 0.35
BAK1 Q16611 2/20 0.35
KAT8 Q9H7Z6 2/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
EP300 Q09472 1/20 0.35
KAT2A Q92830 1/20 0.35
KAT2B Q92831 1/20 0.35

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
SCHEMBL3198 0.70 ALDH1A1 (1.00) MCL1MEN1ALDH1A1KMT2ADNMT1
Acetic Acid SCHEMBL9119537 0.67 KMT2A (0.76) MCL1MEN1ALDH1A1KMT2ADNMT1
Tetrabuthylammonium SCHEMBL796640 0.67 MEN1 (0.49) MCL1MEN1ALDH1A1KMT2ADNMT1
SCHEMBL3320154 0.66 ALDH1A1 (0.91) MCL1MEN1ALDH1A1KMT2ADNMT1
SCHEMBL24079188 0.63 PRKCI (0.46) MCL1MEN1ALDH1A1KMT2ADNMT1
SCHEMBL20741249 0.63 MAPT (0.63) MCL1MEN1KMT2AMAPTHTT
Nonane SCHEMBL29227378 0.63 PTGS2 (0.46) MEN1ALDH1A1KMT2AMAPTHTT
SCHEMBL26059359 0.62 HTR2A (0.58) MCL1MEN1KMT2AMAPTHTT
SCHEMBL29906204 0.62 ALDH1A1 (0.70) MCL1MEN1ALDH1A1KMT2ADNMT1
SCHEMBL5858623 0.62 ALDH1A1 (0.70) MCL1MEN1ALDH1A1KMT2ADNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1154778-B1 PHARMACEUTICAL PREPARATION CONTAINING DITHRANOL ESPARMA GMBH (DE) 2004-05-12 EP disclosed
US-6413950-B1 TOPICAL APPLICATION; SKIN DISORDERS ESPARMA GMBH (DE) 2002-07-02 US disclosed
EP-1154778-A2 PHARMACEUTICAL PREPARATION CONTAINING DITHRANOL Esparma GmbH (DE) 2001-11-21 EP disclosed
WO-2000050018-A2 PHARMACEUTICAL PREPARATION CONTAINING DITHRANOL ESPARMA GMBH (DE) 2000-08-31 WO disclosed