SCHEMBL17501910

SCHEMBL17501910

CCCCCCOOOC(=O)C(CC)CC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
EPHX1 P07099 1/20 0.42
TSHR P16473 3/20 0.41
DGKA P23743 1/20 0.40
CES2 O00748 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
FAAH O00519 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.37
ACHE P22303 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
SCHEMBL8058023 0.93 CA2 (0.44) NAAACA2CA1TSHRDGKA
SCHEMBL1581836 0.92 CA2 (0.54) NAAACA2CA1EPHX1TSHR
SCHEMBL474830 0.90 CA2 (0.56) NAAACA2CA1EPHX1TSHR
SCHEMBL321439 0.84 CA2 (0.58) CA2CA1TSHRNPSR1ALDH1A1
SCHEMBL5695531 0.84 CA2 (0.49) CA2CA1TSHRNPSR1ALDH1A1
SCHEMBL5075330 0.81 NAAA (0.42) NAAAEPHX1TSHRDGKACES2
SCHEMBL1537759 0.81 CA2 (0.58) NAAACA2CA1EPHX1TSHR
SCHEMBL16163544 0.80 CA2 (0.45) NAAACA2CA1TSHRCES2
SCHEMBL6744018 0.79 NAAA (0.57) NAAACA2CA1EPHX1TSHR
SCHEMBL1291018 0.79 NAAA (0.57) NAAACA2CA1EPHX1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9983493-B2 Toner for developing electrostatic images ZEON CORPORATION (JP) 2018-05-29 US disclosed
US-9952522-B2 2018-04-24 US disclosed
US-20160048089-A1 TONER FOR DEVELOPING ELECTROSTATIC IMAGES ZEON CORPORATION (JP) 2016-02-18 US disclosed