SCHEMBL13588182

SCHEMBL13588182

COc1ccc(C(C=C(C)C)C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FFAR1 O14842 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
AOC3 Q16853 3/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
LTA4H P09960 1/20 0.38
ESR2 Q92731 1/20 0.38
ACP3 P15309 1/20 0.38
PTGS1 P23219 3/20 0.37
PTGS2 P35354 3/20 0.37
KDM4E B2RXH2 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
SCHEMBL10248843 0.84 ACACB (0.41) FFAR1KDM4E
SCHEMBL12361745 0.81 NQO1 (0.45) TSHRTDP1L3MBTL1FFAR1LTA4H
SCHEMBL12361679 0.81 LMNA (0.46) ALDH1A1TSHRL3MBTL1KDM4ELMNA
SCHEMBL12346042 0.81 TAS1R3 (0.30) FFAR1
SCHEMBL903568 0.81 ESR1 (0.43) ALDH1A1TSHRTDP1ESR2PTGS1
SCHEMBL10077946 0.78 CYP1A2 (0.40) ALDH1A1TSHRLMNAMAPTCYP1A2
SCHEMBL10077145 0.78 AOC3 (0.37) AOC3LMNA
SCHEMBL12448026 0.78 CYP1A2 (0.40) ALDH1A1TSHRLMNAMAPTCYP1A2
SCHEMBL13063293 0.77 TRPA1 (0.40) ALDH1A1L3MBTL1AOC3ESR2LMNA
SCHEMBL14219874 0.76 LMNA (0.33) FFAR1LMNAAKR1C3AKR1C2

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-7629107-B2 Positive photosensitive composition, polymer compounds for use in the positive photosensitive composition, manufacturing method of the polymer compounds, compounds for use in the manufacture of the polymer compounds, and pattern-forming method using the positive photosensitive composition FUJIFILM CORPORATION (JP) 2009-12-08 US disclosed
US-20080085464-A1 POSITIVE PHOTOSENSITIVE COMPOSITION, POLYMER COMPOUNDS FOR USE IN THE POSITIVE PHOTOSENSITIVE COMPOSITION, MANUFACTURING METHOD OF THE POLYMER COMPOUNDS, COMPOUNDS FOR USE IN THE MANUFACTURE OF THE POLYMER COMPOUNDS, AND PATTERN-FORMING METHOD USING THE POSITIVE PHOTOSENSITIVE COMPOSITION FUJIFILM CORPORATION (JP) 2008-04-10 US disclosed