SCHEMBL9577303

SCHEMBL9577303

CC(C)CC(C(=O)C(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.48
▸ CTSK P43235 2/20 0.48
▸ KCNQ2 O43526 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CTSL P07711 1/20 0.44
▸ CYP2C19 P33261 1/20 0.42
▸ EPHX1 P07099 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ MMP14 P50281 1/20 0.41
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ PSMB8 P28062 1/20 0.41
▸ PSMB5 P28074 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ TRPA1 O75762 2/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL15828118 0.87 CTSS (0.47) CTSSCTSKKCNQ2LMNAALDH1A1
SCHEMBL1716112 0.84 CYP2C19 (0.53) CTSSCTSKKCNQ2LMNAALDH1A1
SCHEMBL2120942 0.82 CTSS (0.49) CTSSCTSKKCNQ2LMNAALDH1A1
SCHEMBL27774147 0.81 LMNA (0.50) CTSSCTSKKCNQ2LMNAALDH1A1
SCHEMBL3036448 0.81 EPHX1 (0.59) CTSSCTSKKCNQ2LMNAALDH1A1
SCHEMBL710418 0.80 LMNA (0.56) KCNQ2LMNAALDH1A1HSD17B10CRHBP
SCHEMBL1801672 0.79 LMNA (0.56) CTSSCTSKKCNQ2LMNAALDH1A1
SCHEMBL11508430 0.78 KMT2A (0.56) CTSSCTSKKCNQ2LMNAALDH1A1
SCHEMBL27586195 0.78 CYP2C19 (0.46) LMNACYP2C19EPHX1HSD17B10CES2
SCHEMBL9240062 0.77 CYP2C19 (0.48) KCNQ2LMNAALDH1A1CYP2C19EPHX1

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-0407588-B1 PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES SAGAMI CHEM RES (JP) 1993-12-08 — — EP disclosed
US-5028738-A Process for producing 2-oxo-3-aromatic carboxylic acid derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-07-02 — — US disclosed
EP-0407588-A1 PROCESS FOR PRODUCING 2-OXO-3-AROMATIC CARBOXYLIC ACID DERIVATIVES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-16 — — EP disclosed
EP-0386243-A1 PLATINUM (II) COMPLEXES SAGAMI CHEMICAL RESEARCH CENTER (JP) 1990-09-12 — — EP disclosed
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