SCHEMBL9482145

SCHEMBL9482145

Cc1ccc(C)c(OC(=O)C(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.52
CYP2C9 P11712 2/20 0.49
TSHR P16473 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
APEX1 P27695 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.43
ADRA1A P35348 2/20 0.42
TTR P02766 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C8 P10632 1/20 0.42
CHRM1 P11229 1/20 0.42
PPARG P37231 1/20 0.42

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
SCHEMBL9589650 0.87 ALOX15 (0.60) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL21483407 0.85 L3MBTL1 (0.51) NPSR1CYP2C9KMT2APOLBAPEX1
SCHEMBL9619687 0.84 ELANE (0.53) NPSR1KMT2AALOX15TDP1MEN1
SCHEMBL29910972 0.82 TYR (0.57)
SCHEMBL14947267 0.82 TYR (0.57)
SCHEMBL29910667 0.82 LMNA (0.56) LMNA
SCHEMBL14947268 0.82 LMNA (0.56) LMNA
SCHEMBL4084307 0.82 ACHE (0.57) NPSR1KMT2APOLBAPEX1ATM
SCHEMBL27051765 0.81 TSHR (0.49) TSHRKMT2AALOX15TDP1GAA
SCHEMBL8706664 0.81 TSHR (0.47) CYP2C9TSHRKMT2ASMN1; SMN2TDP1

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
CN-1032134-C Process for preparing 2,2-dimethyl-5-(2,5-dimethyl phenoxy) pentanoic acid GYOGYSZERKUTATO INTEZET (HU) 1996-06-26 CN disclosed
US-5235097-A Reacting halogen terminated diester with alkali salt of 2,5-dimethylphenol EGIS GYOGYSZERGYAR (HU) 1993-08-10 US disclosed
US-5155260-A PROCESS FOR THE PREPARATION OF 2,2-DIMETHYL-5-(2,5-DIMETHYL-PHENOXY)-PENTANOIC ACID, INTERMEDIATES FOR PREPARING THIS COMPOUND AND PROCESS FOR PREPARING THE INTERMEDIATES EGIS GYOGYSZERGYAR (HU) 1992-10-13 US disclosed
CN-1056487-A 2, the preparation method of 2-dimethyl-5-(2, the 5-xylyloxy) valeric acid GYOGYSZERKUTATO INTEZET (HU) 1991-11-27 CN disclosed