SCHEMBL28040180

SCHEMBL28040180

CC(SC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O.O=C1CCC(=O)N1O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 14/20 0.38
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
SLC1A2 P43004 1/20 0.35
MAP2K7 O14733 1/20 0.35
ELANE P08246 1/20 0.35
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
PTGS2 P35354 1/20 0.33
DNMT1 P26358 1/20 0.33

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
SCHEMBL358276 0.84 KIF11 (0.46) KIF11CYP1A2CYP2D6DNMT1
SCHEMBL934496 0.72 CYP2D6 (0.46) KIF11CYP1A2CYP2D6DNMT1
SCHEMBL27911897 0.72 CYP1A2 (0.42) KIF11CYP1A2CYP2D6DNMT1
SCHEMBL28438065 0.71 CYP1A2 (0.39) ALDH1A1PKMCYP1A2CYP2D6
SCHEMBL11258582 0.69 MME (0.44)
SCHEMBL31091500 0.68 KIF11 (0.43) KIF11CYP1A2CYP2D6DNMT1
SCHEMBL4840669 0.68 KIF11 (0.43) KIF11CYP1A2CYP2D6DNMT1
SCHEMBL1906466 0.67 MEN1 (0.34) ALDH1A1PKMSLC1A2
SCHEMBL11194318 0.67 ALDH1A1 (0.50) ALDH1A1PKMSLC1A2CYP1A2
SCHEMBL2772327 0.66 KIF11 (0.48) KIF11CYP1A2CYP2D6DNMT1

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-104981251-A Insulin analog dimers UNIV INDIANA RES & TECH CORP 2015-10-14 CN disclosed