Octinoxate

Octinoxate

SCHEMBL7606017

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

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.82
TAS1R3 Q7RTX0 4/20 0.49
TAS1R1 Q7RTX1 4/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.44
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
THRB P10828 1/20 0.41
ATM Q13315 1/20 0.41
CA2 P00918 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
GSK3B P49841 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40

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 SCHEMBL420736 0.91 TDP1 (0.68) TDP1TAS1R3TAS1R1LMNASMN1; SMN2
SCHEMBL9098850 0.91 TDP1 (0.91) TDP1TAS1R3TAS1R1LMNASMN1; SMN2
SCHEMBL1960360 0.91 TDP1 (0.91) TDP1TAS1R3TAS1R1LMNASMN1; SMN2
SCHEMBL9098855 0.91 TDP1 (0.91) TDP1TAS1R3TAS1R1LMNASMN1; SMN2
SCHEMBL1960361 0.91 TDP1 (0.91) TDP1TAS1R3TAS1R1LMNASMN1; SMN2
Octinoxate SCHEMBL15803545 0.91 TDP1 (1.00) TDP1TAS1R3TAS1R1LMNASMN1; SMN2
Octinoxate SCHEMBL15609 0.91 TDP1 (1.00) TDP1TAS1R3TAS1R1LMNASMN1; SMN2
Octinoxate SCHEMBL39360 0.91 TDP1 (1.00) TDP1TAS1R3TAS1R1LMNASMN1; SMN2
Octinoxate SCHEMBL30252195 0.91 TDP1 (1.00) TDP1TAS1R3TAS1R1LMNASMN1; SMN2
Octinoxate SCHEMBL12533330 0.91 TDP1 (1.00) TDP1TAS1R3TAS1R1LMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832643-B1 Stabilization of an unstable retinoid in oil-in-water emulsions for skin care compositions UNILEVER PLC (GB) 2002-01-09 EP disclosed
EP-0832643-A2 Stabilization of an unstable retinoid in oil-in-water emulsions for skin care compositions UNILEVER PLC (GB) 1998-04-01 EP disclosed