SCHEMBL11245205

SCHEMBL11245205

CC(C)c1cc(Cl)c(OC(=O)c2cc(C(C)(C)C)cc(Cl)c2O)c(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 8/20 0.43
AKR1C1 Q04828 8/20 0.43
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
EIF4A3 P38919 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
CYP2C19 P33261 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HIF1A Q16665 1/20 0.31
MCL1 Q07820 1/20 0.31
PPARG P37231 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
PRKAB2 O43741 1/20 0.30
PRKAG1 P54619 1/20 0.30
PRKAA2 P54646 1/20 0.30

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
SCHEMBL11245207 0.91 AKR1C2 (0.35) AKR1C2AKR1C1NR1H4
SCHEMBL11245202 0.87 AKR1C2 (0.55) AKR1C2AKR1C1AKR1C4AKR1C3EIF4A3
SCHEMBL11228742 0.75 AKR1C2 (0.58) AKR1C2AKR1C1AKR1C4AKR1C3EIF4A3
SCHEMBL9247751 0.75 AKR1C2 (0.67) AKR1C2AKR1C1AKR1C4AKR1C3CYP2C19
SCHEMBL29193192 0.69 NR5A2 (0.43) AKR1C2AKR1C1CYP2C19CYP2C9PPARG
SCHEMBL11776441 0.64 CYP2D6 (0.50) AKR1C2AKR1C1AKR1C4AKR1C3CYP2C19
SCHEMBL11246149 0.64 AKR1C2 (0.44) AKR1C2AKR1C1CYP2C19CYP2C9MCL1
SCHEMBL28717119 0.64 AKR1C2 (0.53) AKR1C2AKR1C1AKR1C4AKR1C3RXRA
SCHEMBL10136530 0.64 RXRA (0.47) EIF4A3CYP2D6CYP2C9HIF1ARXRA
SCHEMBL13896481 0.63 TPMT (0.46) AKR1C2AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4355070-A COLOR FORMER, DEVELOPER, HEAT FUSIBLE MATERIAL AND OIL ABSORPTIVE PIGMENT KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1982-10-19 US disclosed
US-4236732-A COLOR DEVELOPING LAYER CONTAINING PARTICLES OF A CHROMOGENIC MATERIAL, AN ACCEPTOR AND A HEAT FUSIBLE MATERIAL KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1980-12-02 US disclosed
US-4228222-A COLOR DEVELOPING LAYER INCLUDING WATER SOLUBLE RESIN AS BINDER KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1980-10-14 US disclosed