SCHEMBL9330951

SCHEMBL9330951

CCCCC(CCCC)(c1ccccc1)c1ccc(Nc2ccc(C(CCCC)(CCCC)c3ccccc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.55
ESR2 Q92731 4/20 0.55
ALDH1A1 P00352 4/20 0.41
ALOX12 P18054 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPK1 P28482 2/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
PTGS2 P35354 1/20 0.41
HTR2B P41595 1/20 0.41
MAPT P10636 4/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC1 Q13547 2/20 0.40

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
SCHEMBL9332954 0.89 ESR1 (0.52) ESR1ESR2ALDH1A1ALOX12HSD17B10
SCHEMBL7543600 0.87 ESR1 (0.63) ESR1ESR2MEN1KMT2AKIF11
SCHEMBL4740387 0.83 ESR1 (0.59) ESR1ESR2MEN1KMT2AKIF11
SCHEMBL8158952 0.83 ESR1 (0.59) ESR1ESR2MEN1KMT2AKIF11
Hydrochloric Acid SCHEMBL7850978 0.81 ESR1 (0.57) ESR1ESR2MEN1KMT2AKIF11
SCHEMBL9330404 0.81 ESR1 (0.48) ESR1ESR2ALDH1A1ALOX12HSD17B10
SCHEMBL30108338 0.81 MAPT (0.46) ALDH1A1ALOX12HSD17B10MAPK1ALOX15
SCHEMBL7781763 0.81 ESR1 (0.55) ESR1ESR2MEN1KMT2AKIF11
SCHEMBL28036464 0.80 ESR1 (0.85) ESR1ESR2ALDH1A1KIF11CYP3A4
SCHEMBL15171561 0.80 RXFP1 (0.41) ESR1ESR2MAPTHPGDMEN1

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-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