Octinoxate

Octinoxate

SCHEMBL3845221

CCCCC(CC)COC(=O)/C=C/c1ccc(OC)cc1.O=C(O)CO

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.89
LMNA P02545 3/20 0.53
TAS1R3 Q7RTX0 4/20 0.53
TAS1R1 Q7RTX1 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
THRB P10828 1/20 0.45
ATM Q13315 1/20 0.45
CA2 P00918 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
GSK3B P49841 1/20 0.44
F3 P13726 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43

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
Octinoxate SCHEMBL30252195 0.94 TDP1 (1.00) TDP1LMNATAS1R3TAS1R1SMN1; SMN2
Octinoxate SCHEMBL12533330 0.94 TDP1 (1.00) TDP1LMNATAS1R3TAS1R1SMN1; SMN2
Octinoxate SCHEMBL15609 0.94 TDP1 (1.00) TDP1LMNATAS1R3TAS1R1SMN1; SMN2
Octinoxate SCHEMBL15803545 0.94 TDP1 (1.00) TDP1LMNATAS1R3TAS1R1SMN1; SMN2
Octinoxate SCHEMBL39360 0.94 TDP1 (1.00) TDP1LMNATAS1R3TAS1R1SMN1; SMN2
Octinoxate SCHEMBL1768913 0.94 TDP1 (1.00) TDP1LMNATAS1R3TAS1R1SMN1; SMN2
Octinoxate SCHEMBL28243144 0.93 TDP1 (0.98) TDP1LMNATAS1R3TAS1R1SMN1; SMN2
Octinoxate SCHEMBL20590507 0.90 TDP1 (0.87) TDP1LMNATAS1R3TAS1R1SMN1; SMN2
SCHEMBL9098850 0.90 TDP1 (0.91) TDP1LMNATAS1R3TAS1R1SMN1; SMN2
SCHEMBL1960360 0.90 TDP1 (0.91) TDP1LMNATAS1R3TAS1R1SMN1; SMN2

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
EP-1420645-B1 MULTIVESICULAR EMULSION TOPICAL DELIVERY SYSTEMS HEALTHPOINT LTD (US) 2009-11-04 EP disclosed