SCHEMBL30834684

SCHEMBL30834684

NCCOP(=O)(O)OP(=O)(OCCN)OCCN

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 2/20 0.38
▸ MVD P53602 3/20 0.35
▸ ITPR3 Q14573 1/20 0.35
▸ ITPR1 Q14643 1/20 0.35
▸ PLA2G2C Q5R387 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ GABBR2 O75899 1/20 0.31
▸ GABBR1 Q9UBS5 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ PMP22 Q01453 1/20 0.31

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
SCHEMBL5459840 0.87 CYP3A4 (0.53) PLA2G2CGABBR2GABBR1CYP3A4
SCHEMBL63984 0.84 BTN3A1 (0.53) BTN3A1MVDITPR3ITPR1BLM
SCHEMBL6510653 0.83 ALDH1A1 (0.39) ALDH1A1CYP3A4
SCHEMBL11408483 0.83 PLA2G2C (0.41) BTN3A1MVDITPR3ITPR1PLA2G2C
SCHEMBL91094 0.80 BTN3A1 (0.41) BTN3A1MVDITPR3ITPR1PLA2G2C
SCHEMBL18736592 0.80 BTN3A1 (0.37) BTN3A1MVDITPR3ITPR1PLA2G2C
SCHEMBL10881853 0.80 BTN3A1 (0.50) BTN3A1MVDITPR3ITPR1BLM
SCHEMBL5455783 0.79 BTN3A1 (0.34) BTN3A1PLA2G2CGABBR2GABBR1CYP3A4
SCHEMBL8837386 0.79 BTN3A1 (0.39) BTN3A1MVDPLA2G2CALDH1A1CYP3A4
SCHEMBL19115076 0.78 BTN3A1 (0.44) BTN3A1MVDITPR3ITPR1PLA2G2C

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-117887244-A Ceramic-like ultra-high wear-resistant resin and preparation method and application thereof 上海中镭新材料科技有限公司 2024-04-16 — — CN claimed
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