SCHEMBL4347882

SCHEMBL4347882

O=C(OC(=O)C(F)(F)F)N1CCC(C2OCc3cc(-c4ccc(S(=O)(=O)NCCN5CCOCC5)cc4)ccc3O2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.44
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
NAMPT P43490 1/20 0.37
POLB P06746 1/20 0.37
TP53 P04637 1/20 0.36
SLC2A1 P11166 1/20 0.36
KMT2A Q03164 1/20 0.36
NEK1 Q96PY6 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL4539175 0.85 F13A1 (0.43) EPHX2ALDH1A1PKMMAPK1NAMPT
Trifluoroacetic Acid SCHEMBL4521875 0.73 TRPV4 (0.40) KMT2A
SCHEMBL4355670 0.71 TRPV4 (0.38) KMT2A
SCHEMBL4531768 0.70 KDM1A (0.38) EPHX2KMT2A
SCHEMBL4349641 0.70 HRH3 (0.47) ALDH1A1MAPK1KMT2ATSHR
SCHEMBL4540972 0.69 GPR119 (0.47) KMT2A
SCHEMBL4526460 0.67 SMN1; SMN2 (0.43) KMT2A
SCHEMBL4360375 0.67 KDM1A (0.39) ALDH1A1MAPK1TP53KMT2ATSHR
SCHEMBL4534565 0.66 KDM4E (0.40) EPHX2ALDH1A1TP53KMT2ATSHR
SCHEMBL4356877 0.66 ALDH1A1 (0.45) ALDH1A1TP53TSHR

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
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed