SCHEMBL29174117

SCHEMBL29174117

[Ti]NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.46
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
HSD11B1 P28845 3/20 0.37
SIGMAR1 Q99720 2/20 0.37
NPC1 O15118 1/20 0.34
EPHX1 P07099 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1072726 0.73 EPHX2 (0.50) EPHX2CA1CA2HSD17B10L3MBTL1
SCHEMBL11148891 0.73 EPHX2 (0.50) EPHX2CA1CA2HSD17B10L3MBTL1
Hydrochloric Acid SCHEMBL11156725 0.71 EPHX2 (0.48) EPHX2CA1CA2HSD17B10L3MBTL1
SCHEMBL6154544 0.69 EPHX2 (0.41) EPHX2CA1CA2HSD17B10L3MBTL1
SCHEMBL12408108 0.69 EPHX2 (0.46) EPHX2CA1CA2HSD17B10L3MBTL1
SCHEMBL1487952 0.69 EPHX2 (0.46) EPHX2CA1CA2HSD17B10L3MBTL1
SCHEMBL2604739 0.69 EPHX2 (0.46) EPHX2CA1CA2HSD17B10L3MBTL1
SCHEMBL7672245 0.69 EPHX2 (0.52) EPHX2CA1CA2HSD17B10L3MBTL1
SCHEMBL1502375 0.69 CA1 (0.48) EPHX2CA1CA2HSD17B10L3MBTL1
SCHEMBL2297553 0.69 EPHX2 (0.46) EPHX2CA1CA2HSD17B10L3MBTL1

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-112805329-B Process for preparing polymer compositions with enhanced elasticity by employing VTP and HMP catalyst systems in parallel process 埃克森美孚化学专利公司 2024-02-02 CN disclosed