SCHEMBL9330404

SCHEMBL9330404

CCC(CC)(c1ccccc1)c1ccc(Nc2ccc(C(CC)(CC)c3ccccc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.48
ESR2 Q92731 3/20 0.48
ALDH1A1 P00352 5/20 0.48
HSD17B10 Q99714 4/20 0.48
ALOX12 P18054 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
ALOX15 P16050 3/20 0.48
TSHR P16473 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPK1 P28482 2/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
PTGS2 P35354 1/20 0.48
HTR2B P41595 1/20 0.48
HPGD P15428 3/20 0.45
NR3C2 P08235 1/20 0.43
MAPT P10636 4/20 0.43
GAA P10253 2/20 0.43
KCNN4 O15554 1/20 0.42
CYP3A4 P08684 3/20 0.41

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
SCHEMBL827345 0.84 ESR1 (0.56) ESR1ESR2ALDH1A1TSHRMAPK1
SCHEMBL9332954 0.84 ESR1 (0.52) ESR1ESR2ALDH1A1HSD17B10ALOX12
SCHEMBL1242743 0.82 ALDH1A1 (0.46) ALDH1A1HSD17B10ALOX12L3MBTL1ALOX15
SCHEMBL9330951 0.81 ESR1 (0.55) ESR1ESR2ALDH1A1HSD17B10ALOX12
SCHEMBL19954797 0.80 ALDH1A1 (0.50) ALDH1A1HSD17B10ALOX12L3MBTL1ALOX15
SCHEMBL9473731 0.78 ALDH1A1 (0.52) ALDH1A1HSD17B10ALOX12L3MBTL1ALOX15
SCHEMBL12278122 0.77 NR3C2 (0.54) ESR1ESR2ALDH1A1HSD17B10ALOX12
SCHEMBL17931717 0.77 ESR1 (0.50) ESR1ESR2ALDH1A1L3MBTL1KCNN4
SCHEMBL17935605 0.77 ALDH1A1 (0.61) ESR1ESR2ALDH1A1TSHRKCNN4
SCHEMBL28613436 0.77 ESR1 (0.83) ESR1ESR2ALDH1A1HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5350634-A Microcapsules, desensitizers SAKURA COLOR PRODUCTS CORPORATION (JP) 1994-09-27 US claimed
US-5350634-A Microcapsules, desensitizers SAKURA COLOR PRODUCTS CORPORATION (JP) 1994-09-27 US disclosed
US-4500686-A CRYSTALLINE AROMATIC POLYESTERLACTONE COPOLYMER MELT-ADMIXED WITH EPOXY COMPOUND TOYO BOSEKI KABUSHIKI KAISHA (JP) 1985-02-19 US disclosed
EP-0089643-A2 Improved polyester type block copolymer composition Toyo Boseki Kabushiki Kaisha (JP) 1983-09-28 EP disclosed