SCHEMBL2584732

SCHEMBL2584732

CCCCC(CC)OC(=O)c1ccc(O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.61
PRKCD Q05655 2/20 0.61
ESR1 P03372 4/20 0.55
TSHR P16473 2/20 0.55
LMNA P02545 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP2C19 P33261 1/20 0.55
NR1H2 P55055 1/20 0.55
RNASEL Q05823 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PNLIP P16233 1/20 0.54
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA7 P43166 3/20 0.53
CA9 Q16790 3/20 0.53
CA14 Q9ULX7 3/20 0.53
ALDH1A1 P00352 3/20 0.50

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
SCHEMBL1959822 0.95 PNLIP (0.59) PRKCAPRKCDESR1TSHRLMNA
SCHEMBL22684929 0.94 PNLIP (0.61) PRKCAPRKCDESR1TSHRLMNA
SCHEMBL8861882 0.94 PNLIP (0.61) PRKCAPRKCDESR1TSHRLMNA
SCHEMBL2474074 0.94 PNLIP (0.61) PRKCAPRKCDESR1TSHRLMNA
SCHEMBL9441341 0.94 PNLIP (0.61) PRKCAPRKCDESR1TSHRLMNA
SCHEMBL828598 0.94 PRKCA (0.68) PRKCAPRKCDESR1TSHRLMNA
SCHEMBL30354022 0.91 ESR1 (0.55) PRKCAPRKCDESR1TSHRLMNA
SCHEMBL6847090 0.90 PRKCA (0.59) PRKCAPRKCDESR1TSHRLMNA
SCHEMBL4869869 0.90 PNLIP (0.57) PRKCAPRKCDESR1TSHRLMNA
SCHEMBL4869876 0.90 PNLIP (0.57) PRKCAPRKCDESR1TSHRLMNA

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-9724544-B2 Vitamin D promoting sunscreen Armstrong, Ernest T. (US) 2017-08-08 US disclosed
US-20110268678-A1 VITAMIN D FORMING SUNSCREEN ARMSTRONG ERNEST T 2011-11-03 US disclosed