SCHEMBL9542628

SCHEMBL9542628

Cc1cc(C(=O)CC(C)(C)C)cc(O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.36
LMNA P02545 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
FUT7 Q11130 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TP53 P04637 1/20 0.36
CA3 P07451 1/20 0.36
SELL P14151 1/20 0.36
HPGD P15428 1/20 0.36
SELP P16109 1/20 0.36
FUT4 P22083 1/20 0.36
CA4 P22748 1/20 0.36

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
SCHEMBL15112867 0.79 KMT2A (0.44) SERPINE1KMT2AMEN1NPC1ALDH1A1
SCHEMBL15851092 0.79 ESRRG (0.46) TDP1CA12CA1CA2TP53
SCHEMBL16675108 0.76 SERPINE1 (0.41) SERPINE1KMT2AMEN1NPC1ALDH1A1
SCHEMBL23571733 0.74 MEN1 (0.47) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL13144722 0.72 CA5A (0.50) SERPINE1KMT2AMEN1ALDH1A1MAPT
SCHEMBL3353646 0.72 CA12 (0.70) ALDH1A1MAPTKDM4ELMNATDP1
SCHEMBL9768021 0.72 KMT2A (0.39) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL16478409 0.72 GAA (0.52) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL20199381 0.71 SERPINE1 (0.49) SERPINE1KDM4ELMNATDP1FUT7
SCHEMBL16281799 0.71 PTPN11 (0.45) SERPINE1KMT2AMEN1ALDH1A1MAPT

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
WO-1993013089-A1 MACROCYCLIC POLYETHER CARBOXYLIC ACIDS URBAN FRANK J (US) 1993-07-08 WO disclosed
US-4935442-A Tetrahydrofuran-containing macrocyclic polyether carboxylic acids PFIZER INC. (US) 1990-06-19 US disclosed
US-4876367-A ANIMAL GROWTH REGULATORS PFIZER INC. (US) 1989-10-24 US disclosed
US-4777270-A INCREASE EFFICIENCY OF FEED UTILIZATION IN RUMINANTS PFIZER INC. (US) 1988-10-11 US disclosed