SCHEMBL28484371

SCHEMBL28484371

COC(=O)C(C)=CCOc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.46
MTNR1B P49286 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 1/20 0.44
ALOX15 P16050 1/20 0.43
NDUFS8 O00217 1/20 0.42
COXFA4 O00483 1/20 0.42
NDUFAB1 O14561 1/20 0.42
NDUFA1 O15239 1/20 0.42
NDUFS4 O43181 1/20 0.42
NDUFB5 O43674 1/20 0.42
NDUFB3 O43676 1/20 0.42
NDUFC1 O43677 1/20 0.42
NDUFA2 O43678 1/20 0.42
NDUFS5 O43920 1/20 0.42
NDUFS7 O75251 1/20 0.42
NDUFS2 O75306 1/20 0.42
NDUFS6 O75380 1/20 0.42

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
SCHEMBL11294636 0.85 HTT (0.47) HTTGAA
SCHEMBL987061 0.84 ALOX15 (0.47) MTNR1AMTNR1BL3MBTL1MAPTRAB9A
SCHEMBL11269344 0.84 ALOX15 (0.47) MTNR1AMTNR1BL3MBTL1MAPTRAB9A
SCHEMBL21675145 0.78 ALDH1A1 (0.46) MAPTRAB9ASMN1; SMN2
SCHEMBL1135899 0.76 NDUFS8 (0.49) MTNR1AMTNR1BMAPTALOX15NDUFS8
SCHEMBL24425868 0.76 ALDH1A1 (0.43) MAPTRAB9AHTTKDM4ESMN1; SMN2
SCHEMBL715040 0.76 ALDH1A1 (0.43) MAPTRAB9AHTTKDM4ESMN1; SMN2
SCHEMBL11263004 0.74 MEN1 (0.41) MTNR1AMTNR1BL3MBTL1ALOX15HDAC3
SCHEMBL11294662 0.74 ALDH1A1 (0.46) MTNR1AMTNR1BL3MBTL1HTTALOX15
SCHEMBL8974439 0.74 RAB9A (0.49) MTNR1AMTNR1BL3MBTL1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106604992-B Adsorbent material for separating biomacromolecules 康特姆斯集团有限公司 2021-06-18 CN claimed
CN-106604992-B Adsorbent material for separating biomacromolecules 康特姆斯集团有限公司 2021-06-18 CN disclosed
CN-109727902-B Transfer probe, two-dimensional heterojunction, preparation method of two-dimensional heterojunction and preparation system of two-dimensional heterojunction 南方科技大学 2020-11-10 CN disclosed