SCHEMBL19788034

SCHEMBL19788034

CC1(c2ccc(C3(O)CCCCC3)cc2)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.41
ESR1 P03372 4/20 0.39
ESR2 Q92731 4/20 0.39
DRD2 P14416 1/20 0.38
OPRM1 P35372 4/20 0.37
OPRL1 P41146 4/20 0.37
OPRK1 P41145 3/20 0.37
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRD1 P41143 1/20 0.33
SLC18A3 Q16572 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL10602015 0.86 ESR1 (0.42) ESR1ESR2ALDH1A1L3MBTL1
SCHEMBL17914393 0.85 MEN1 (0.35) HRH3ESR1ESR2DRD2OPRM1
SCHEMBL893223 0.80 OPRM1 (0.53) HRH3ESR1ESR2DRD2OPRM1
SCHEMBL1516123 0.80 ESR2 (0.61) ESR1ESR2OPRM1ALDH1A1MEN1
SCHEMBL11962271 0.77 OPRM1 (0.55) HRH3ESR1ESR2DRD2OPRM1
SCHEMBL4987796 0.77 KMT2A (0.41) ESR1ESR2ALDH1A1L3MBTL1KMT2A
SCHEMBL5241008 0.77 ESR2 (0.60) ESR1ESR2OPRM1ALDH1A1MEN1
SCHEMBL6752708 0.77 ESR1 (0.64) HRH3ESR1ESR2DRD2OPRM1
SCHEMBL6058583 0.77 ESR1 (0.64) HRH3ESR1ESR2DRD2OPRM1
SCHEMBL24845287 0.77 DRD2 (0.43) HRH3ESR1ESR2DRD2OPRM1

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-9874816-B2 Radiation-sensitive resin composition and resist pattern-forming method JSR CORPORATION (JP) 2018-01-23 US disclosed