SCHEMBL28857877

SCHEMBL28857877

CC(C)(C)C(Oc1ccccc1)(C(=O)O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
PPARG P37231 11/20 0.44
PPARD Q03181 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
FABP2 P12104 1/20 0.39
SLC22A12 Q96S37 1/20 0.39

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
SCHEMBL8515671 0.82 PPARG (0.41) PPARACYP2C19MEN1KMT2ACYP1A2
SCHEMBL1683220 0.81 PPARG (0.43) PPARACYP2C19MEN1KMT2ACYP1A2
SCHEMBL28332799 0.79 PPARG (0.46) PPARACYP2C19MEN1KMT2ACYP1A2
SCHEMBL11657107 0.79 CES1 (0.39) PPARACYP2C19MEN1KMT2ACYP1A2
SCHEMBL1538043 0.78 PPARA (0.47) PPARACYP2C19MEN1KMT2ACYP1A2
SCHEMBL5512518 0.78 PPARG (0.49) PPARACYP2C19MEN1KMT2ACYP1A2
SCHEMBL247466 0.78 PPARA (0.68) PPARACYP2C19MEN1KMT2ACYP1A2
SCHEMBL648770 0.78 PPARG (0.39) PPARACYP2C19MEN1KMT2ACYP1A2
SCHEMBL646990 0.77 PPARG (0.38) PPARACYP2C19MEN1KMT2ACYP1A2
SCHEMBL9797403 0.77 PPARG (0.38) PPARACYP2C19MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113226377-B Antibody drug conjugates comprising an eltrinastine derivative 法马马有限公司 2022-10-18 CN disclosed