SCHEMBL28733151

SCHEMBL28733151

CCC(C[N+](C)(C)C)OP(=O)(O)O.C[N+](C)(C)CCOCCO

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.32
FABP3 P05413 1/20 0.32
PRKD3 O94806 2/20 0.31
PRKCG P05129 2/20 0.31
PRKCB P05771 2/20 0.31
PRKCA P17252 2/20 0.31
PRKCH P24723 2/20 0.31
PRKCI P41743 2/20 0.31
PRKCE Q02156 2/20 0.31
PRKCQ Q04759 2/20 0.31
PRKCZ Q05513 2/20 0.31
PRKCD Q05655 2/20 0.31
PRKD1 Q15139 2/20 0.31
AKT1 P31749 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
MEN1 O00255 1/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL906190 0.83 SMPD1 (0.37) SMN1; SMN2MAPK1MEN1GMNNLMNA
Hydrochloric Acid SCHEMBL17143222 0.81 LMNA (0.38) SMN1; SMN2MAPK1MEN1GMNNLMNA
SCHEMBL28733162 0.75 PPARD (0.40) SMN1; SMN2AKT1ALDH1A1MAPK1MEN1
SCHEMBL28332806 0.74 SMN1; SMN2 (0.42) SMN1; SMN2FABP3PRKD3PRKCGPRKCB
SCHEMBL1674935 0.72 TSHR (0.56) SMN1; SMN2ALDH1A1MAPK1MEN1LMNA
Hydrochloric Acid SCHEMBL4359628 0.70 TSHR (0.53) SMN1; SMN2ALDH1A1MAPK1MEN1LMNA
Bromide SCHEMBL27927822 0.70 TSHR (0.53) SMN1; SMN2ALDH1A1MAPK1MEN1LMNA
Water SCHEMBL5790238 0.70 TSHR (0.53) SMN1; SMN2ALDH1A1MAPK1MEN1LMNA
SCHEMBL7650164 0.70 MEN1 (0.58) SMN1; SMN2ALDH1A1MAPK1MEN1LMNA
Glycerylphosphate SCHEMBL16618492 0.70 MEN1 (0.44) SMN1; SMN2MEN1LMNAKMT2A

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
CN-114437128-A Choline phosphate modified paclitaxel medicine and preparation method and application thereof 中国科学院长春应用化学研究所 2022-05-06 CN claimed
CN-114437128-A Choline phosphate modified paclitaxel medicine and preparation method and application thereof 中国科学院长春应用化学研究所 2022-05-06 CN disclosed