SCHEMBL5152690

SCHEMBL5152690

CCCCOOc1c(O)c(O)cc(C(=O)O)c1CC

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.42
ESR1 P03372 2/20 0.41
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
TP53 P04637 1/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
KAT8 Q9H7Z6 2/20 0.36
PPARA Q07869 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
SCHEMBL8735952 0.77 THRB (0.34) MCL1TP53
SCHEMBL5586611 0.76 ESR1 (0.35) MCL1ESR1RARBTP53PPARA
SCHEMBL5590538 0.73 THRA (0.36) ESR1RARBTP53
SCHEMBL28698678 0.73 KAT8 (0.48) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL39598 0.72 SELL (0.42) MCL1TP53
SCHEMBL5590756 0.72 PLA2G2A (0.34) MCL1ESR1RARBTP53AKR1C4
SCHEMBL7088092 0.72 TSHR (0.49) TP53
SCHEMBL5589124 0.71 PLA2G2A (0.36) MCL1ESR1RARBTP53AKR1C4
SCHEMBL5590091 0.71 PLA2G2A (0.36) MCL1ESR1RARBTP53AKR1C4
SCHEMBL5588273 0.71 PLA2G2A (0.36) MCL1ESR1RARBTP53AKR1C4

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-1245403-B1 Thermographic recording material with improved image tone. AGFA GEVAERT (BE) 2007-01-03 EP disclosed
US-6774084-B2 BLACK AND WHITE LIGHT-INSENSITIVE THERMOGRAPHIC RECORDING MEDIA COMPRISING A THERMOSENSITIVE ELEMENT HAVING ORGANIC SILVER SALT, A 1,2-DIHYDROXYBENZENE CONTAINING AN ESTER OR SULFOXIDE GROUP AND BINDER; COVERING POWER; STORAGE STABILITY AGFA-GEVAERT (BE) 2004-08-10 US disclosed
US-20030064891-A1 Thermographic recording material with improved image tone AGFA-GEVAERT (BE) 2003-04-03 US disclosed
EP-1245403-A1 Thermographic recording material with improved image tone. Agfa-Gevaert (BE) 2002-10-02 EP disclosed