SCHEMBL9480414

SCHEMBL9480414

CC(C)(CCCCl)C(=O)OCCCCCCOC(=O)C(C)(C)CCCCl

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
NAAA Q02083 1/20 0.34
TSHR P16473 3/20 0.32
ACLY P53396 1/20 0.32
EPHX1 P07099 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
PPARA Q07869 1/20 0.32
ACHE P22303 6/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32

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
SCHEMBL9480437 0.94 CYP4F2 (0.46) CYP4F2CYP4A11TSHRALDH1A1PPARA
SCHEMBL9483233 0.92 CYP4F2 (0.47) CYP4F2CYP4A11TSHRACLYPPARA
SCHEMBL9481795 0.87 CYP4F2 (0.43) CYP4F2CYP4A11TSHRALDH1A1PPARA
SCHEMBL28329181 0.87 CYP4F2 (0.47) CYP4F2CYP4A11TSHRALDH1A1PPARA
SCHEMBL11335039 0.84 POLB (0.39) CYP4F2CYP4A11NAAATSHREPHX1
SCHEMBL20032696 0.84 POLB (0.39) CYP4F2CYP4A11NAAATSHREPHX1
SCHEMBL6268325 0.82 CYP4F2 (0.65) CYP4F2CYP4A11TSHRALDH1A1CYP3A4
SCHEMBL9937565 0.82 POLB (0.40) CYP4F2CYP4A11NAAATSHREPHX1
SCHEMBL23581670 0.81 CYP4F2 (0.58) CYP4F2CYP4A11NAAATSHREPHX1
SCHEMBL4809511 0.81 CYP4F2 (0.58) CYP4F2CYP4A11NAAATSHREPHX1

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-5235097-A Reacting halogen terminated diester with alkali salt of 2,5-dimethylphenol EGIS GYOGYSZERGYAR (HU) 1993-08-10 US claimed
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