SCHEMBL2638013

SCHEMBL2638013

O=C(NC12CC3CC(CC(C3)C1)C2)C1CC1(F)F

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.57
EPHX1 P07099 4/20 0.57
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FAAH O00519 1/20 0.43
JAK2 O60674 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL3378752 0.81 PBK (0.41) EPHX2EPHX1
SCHEMBL3378749 0.79 HSD11B1 (0.40) EPHX2EPHX1KMT2AALDH1A1
SCHEMBL18884208 0.73 EPHX2 (0.73) EPHX2EPHX1KMT2ASMN1; SMN2FAAH
SCHEMBL3069160 0.73 EPHX2 (1.00) EPHX2EPHX1JAK2ALDH1A1LMNA
SCHEMBL14503288 0.72 EPHX2 (0.57) EPHX2EPHX1KMT2ASMN1; SMN2
SCHEMBL2638872 0.72 EPHX2 (0.57) EPHX2EPHX1KMT2AALDH1A1
SCHEMBL1694443 0.72 EPHX2 (0.70) EPHX2EPHX1KMT2ASMN1; SMN2FAAH
SCHEMBL30500314 0.72 EPHX2 (0.70) EPHX2EPHX1KMT2ASMN1; SMN2FAAH
SCHEMBL2638571 0.71 EPHX2 (0.59) EPHX2EPHX1KMT2AALDH1A1
SCHEMBL4862054 0.71 HDAC3 (0.64) EPHX2EPHX1KMT2ASMN1; SMN2JAK2

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
JP-2011529057-A 2011-12-01 JP claimed
WO-2010011570-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2010-01-28 WO claimed