SCHEMBL5552001

SCHEMBL5552001

O=C(Nc1[c]ccc(C(F)(F)F)c1)C1CCC(O)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
RXFP1 Q9HBX9 6/20 0.43
EGFR P00533 1/20 0.41
ERBB4 Q15303 1/20 0.41
KDM4E B2RXH2 1/20 0.40
JAK2 O60674 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
AURKA O14965 2/20 0.38
ABL1 P00519 1/20 0.38
LCK P06239 1/20 0.38
IGF1R P08069 1/20 0.38
EIF2AK2 P19525 1/20 0.38
SYK P43405 1/20 0.38
BMX P51813 1/20 0.38
BRAF P15056 1/20 0.38

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
SCHEMBL5551875 0.95 MEN1 (0.50) MEN1KMT2ATSHRRXFP1EGFR
SCHEMBL5547801 0.88 MEN1 (0.53) MEN1KMT2ATSHRRXFP1ALDH1A1
SCHEMBL5551386 0.84 KDM4E (0.47) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL5547807 0.82 EPHX2 (0.48) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL5547969 0.80 MEN1 (0.38) MEN1KMT2ATSHRRXFP1EGFR
SCHEMBL3282828 0.76 SMN1; SMN2 (0.43) MEN1KMT2ATSHR
SCHEMBL3282830 0.76 SMN1; SMN2 (0.43) MEN1KMT2ATSHR
SCHEMBL3282834 0.76 SMN1; SMN2 (0.43) MEN1KMT2ATSHR
SCHEMBL5548685 0.74 ABL1 (0.48) MEN1KMT2AALDH1A1ABL1
SCHEMBL5782488 0.74 DYRK1A (0.47) MEN1KMT2ARXFP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1780211-A2 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-05-02 EP disclosed
EP-1775295-A1 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-04-18 EP disclosed