SCHEMBL9516102

SCHEMBL9516102

CCCCCCCCCCCCCCCCCCOC(=O)C(CC)(CCCC)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
NAAA Q02083 1/20 0.46
EPHX1 P07099 1/20 0.43
ALDH1A1 P00352 2/20 0.41
CES2 O00748 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FAAH O00519 1/20 0.39
LMNA P02545 1/20 0.39
ACHE P22303 6/20 0.39

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
SCHEMBL28102737 0.93 ALDH1A1 (0.48) TSHRNAAAEPHX1ALDH1A1HCAR2
SCHEMBL11396719 0.88 NAAA (0.50) TSHRNAAAEPHX1ALDH1A1HCAR2
SCHEMBL28556796 0.88 NAAA (0.53) TSHRNAAAEPHX1ALDH1A1HCAR2
SCHEMBL28563002 0.88 NAAA (0.53) TSHRNAAAEPHX1ALDH1A1HCAR2
SCHEMBL1261012 0.86 ALDH1A1 (0.52) TSHRNAAAEPHX1ALDH1A1HCAR2
SCHEMBL7687964 0.86 NAAA (0.55) TSHRNAAAEPHX1ALDH1A1HCAR2
SCHEMBL7681798 0.86 NAAA (0.55) TSHRNAAAEPHX1ALDH1A1HCAR2
SCHEMBL28549732 0.86 NAAA (0.50) TSHRNAAAEPHX1ALDH1A1HCAR2
SCHEMBL7681788 0.86 NAAA (0.55) TSHRNAAAEPHX1ALDH1A1HCAR2
SCHEMBL7684054 0.86 NAAA (0.55) TSHRNAAAEPHX1ALDH1A1HCAR2

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-0372527-B1 TOPICAL COMPOSITIONS CONTAINING DICLOFENAC ALTERGON S.A. (CH) 1993-05-12 EP disclosed
EP-0372527-A1 Topical compositions containing diclofenac ALTERGON S.A. (CH) 1990-06-13 EP disclosed