SCHEMBL11245202

SCHEMBL11245202

CC(C)(C)c1cc(Cl)c(O)c(C(=O)O)c1.CC(C)c1cc(Cl)c(O)c(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 10/20 0.55
AKR1C1 Q04828 10/20 0.55
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
EIF4A3 P38919 1/20 0.40
MCL1 Q07820 1/20 0.38
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
RXRB P28702 1/20 0.35
ACLY P53396 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
SCHEMBL9247751 0.88 AKR1C2 (0.67) AKR1C2AKR1C1AKR1C4AKR1C3KDM4E
SCHEMBL11228742 0.88 AKR1C2 (0.58) AKR1C2AKR1C1AKR1C4AKR1C3EIF4A3
SCHEMBL11245205 0.87 AKR1C2 (0.43) AKR1C2AKR1C1AKR1C4AKR1C3EIF4A3
SCHEMBL11245207 0.79 AKR1C2 (0.35) AKR1C2AKR1C1ACLY
SCHEMBL28717119 0.76 AKR1C2 (0.53) AKR1C2AKR1C1AKR1C4AKR1C3KDM4E
SCHEMBL11776441 0.75 CYP2D6 (0.50) AKR1C2AKR1C1AKR1C4AKR1C3MCL1
SCHEMBL11246149 0.75 AKR1C2 (0.44) AKR1C2AKR1C1MCL1FABP3FABP4
SCHEMBL9247102 0.73 AKR1C2 (0.52) AKR1C2AKR1C1AKR1C4AKR1C3KDM4E
SCHEMBL14124079 0.72 AKR1C2 (0.44) AKR1C2AKR1C1AKR1C4AKR1C3MCL1
SCHEMBL1447621 0.72 AKR1C2 (0.55) AKR1C2AKR1C1AKR1C4AKR1C3MCL1

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