SCHEMBL7626977

SCHEMBL7626977

COC(=O)C(O)[C@H](NC(C)(C)C)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
SLC6A4 P31645 1/20 0.49
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CACNA1F O60840 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA2B P18089 1/20 0.41
CHRM3 P20309 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
OPRK1 P41145 1/20 0.41
CACNA1D Q01668 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
SCN5A Q14524 1/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL6357803 0.83 KMT2A (0.46) KMT2ASLC6A4ATML3MBTL1MEN1
SCHEMBL14261318 0.83 KMT2A (0.46) KMT2ASLC6A4ATML3MBTL1MEN1
SCHEMBL28772271 0.83 KMT2A (0.56) KMT2ACHRM2CHRM1CHRM3MEN1
SCHEMBL13380255 0.81 KMT2A (0.55) KMT2AL3MBTL1MEN1LMNAPTGS1
SCHEMBL9543022 0.81 KMT2A (0.58) KMT2ASLC6A3MEN1LMNAPTGS1
SCHEMBL12069800 0.80 CTSK (0.49) KMT2AATMMAPT
SCHEMBL6784979 0.80 CTSK (0.49) KMT2AATMMAPT
SCHEMBL12068193 0.80 CTSK (0.49) KMT2AATMMAPT
SCHEMBL31477299 0.80 KMT2A (0.53) KMT2ACACNA1CMEN1LMNAPTGS1
SCHEMBL16871126 0.79 KMT2A (0.51) KMT2AMEN1PTGS1PTGS2ALDH1A1

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-0741716-B1 DELTA 12,13 -ISO-TAXOL ANALOGS, ANTINEOPLASTIC USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM UPJOHN CO (US) 2002-07-24 EP disclosed
US-5821363-A Antineoplastic use and pharmaceutical compositions containing them PHARMACIA & UPJOHN COMPANY (US) 1998-10-13 US disclosed
EP-0741716-A1 DELTA 12,13 -ISO-TAXOL ANALOGS, ANTINEOPLASTIC USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARMACIA & UPJOHN COMPANY (US) 1996-11-13 EP disclosed
WO-1995020582-A1 Δ12,13-ISO-TAXOL ANALOGS, ANTINEOPLASTIC USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARMACIA & UPJOHN COMPANY (US) 1995-08-03 WO disclosed