SCHEMBL8072121

SCHEMBL8072121

COc1ccc(C(OC(CCO)c2ccccc2[N+](=O)[O-])(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ NPC1 O15118 5/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ KIF11 P52732 4/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CA2 P00918 1/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ MMP13 P45452 1/20 0.37

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
SCHEMBL5700649 0.89 ALDH1A1 (0.42) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL8332829 0.81 NPC1 (0.38) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL8332629 0.78 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL18802219 0.78 ALDH1A1 (0.46) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL9098372 0.76 ALDH1A1 (0.47) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL4424977 0.74 KIF11 (0.43) KMT2AALDH1A1KIF11MAPK1MEN1
SCHEMBL29451221 0.73 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL17928455 0.73 KIF11 (0.46) SMN1; SMN2KMT2AALDH1A1LMNAKIF11
SCHEMBL8332753 0.73 SMN1; SMN2 (0.34) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
Nitrophenolate SCHEMBL28864273 0.72 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1

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
US-6124445-A PRO DRUGS FOR OLIGONUCLEOTIDES HAVING BIOREVERSIBLE PHOSPHATE BLOCKING GROUPS ISIS PHARMACEUTICALS, INC. (US) 2000-09-26 — — US disclosed
US-5955591-A OLIGONUCLEOTIDES HAVING BIOREVERSIBLE PHOSPHATE BLOCKING GROUPS; USED AS PRODRUGS; ANTISENSE AGENTS CENTER NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1999-09-21 — — US disclosed
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