SCHEMBL18907770

SCHEMBL18907770

CCC(C)c1ccc(C(=O)OC(C)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TSHR P16473 2/20 0.49
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
HSP90AA1 P07900 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ESR1 P03372 1/20 0.40
HIF1A Q16665 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
GRIA4 P48058 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL24512103 0.91 ALDH1A1 (0.53) ALDH1A1TSHRNPSR1MAPTMEN1
SCHEMBL6659510 0.91 ALDH1A1 (0.53) ALDH1A1TSHRNPSR1MAPTMEN1
SCHEMBL10174225 0.86 TSHR (0.53) ALDH1A1TSHRNPSR1MAPTMEN1
SCHEMBL24512165 0.86 ALDH1A1 (0.49) ALDH1A1TSHRNPSR1MAPTMEN1
SCHEMBL16684851 0.82 L3MBTL1 (0.52) ALDH1A1TSHRNPSR1MAPTMEN1
SCHEMBL1791209 0.82 L3MBTL1 (0.52) ALDH1A1TSHRNPSR1MAPTMEN1
SCHEMBL873056 0.82 CYP2C9 (0.47) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL13144172 0.81 CA12 (0.59) ALDH1A1TSHRNPSR1MAPTMEN1
SCHEMBL1789210 0.81 CA1 (0.59) ALDH1A1TSHRNPSR1MAPTMEN1
SCHEMBL14838810 0.81 ALDH1A1 (0.50) ALDH1A1TSHRNPSR1MAPTMEN1

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
US-20170153544-A1 PHOTOSENSITIVE COMPOSITION, METHOD FOR PRODUCING CURED FILM, CURED FILM, TOUCH PANEL, AND DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2017-06-01 US disclosed