SCHEMBL19002122

SCHEMBL19002122

C=C/C=C(\C=C/C)C(=O)Oc1ccc(Oc2ccc(OC(=O)C(/C=C\C)=C/C)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.37
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
HPGD P15428 4/20 0.33
RAB9A P51151 4/20 0.33
MAPT P10636 2/20 0.33
THRB P10828 2/20 0.32
TGM2 P21980 1/20 0.31
HTT P42858 3/20 0.31
SMN1; SMN2 Q16637 4/20 0.30
ALDH1A1 P00352 4/20 0.30
NPC1 O15118 3/20 0.30
TSHR P16473 2/20 0.30
LMNA P02545 2/20 0.30
TP53 P04637 1/20 0.30
XBP1 P17861 1/20 0.30
MAPK1 P28482 1/20 0.30
MDM2 Q00987 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL19002124 0.97 ELANE (0.39) ELANEMTNR1AMTNR1BHPGDRAB9A
SCHEMBL24588580 0.85 ELANE (0.39) ELANEHPGDMAPTTHRBTGM2
SCHEMBL18568309 0.84 ELANE (0.30) ELANE
SCHEMBL19002152 0.83 ESR1 (0.31)
SCHEMBL22873515 0.82 MTNR1A (0.33) MTNR1AMTNR1BRAB9AMAPTTGM2
SCHEMBL18568676 0.80 ESR1 (0.33)
SCHEMBL22415882 0.79 LMNA (0.36) MAPTSMN1; SMN2ALDH1A1LMNAL3MBTL1
SCHEMBL20904224 0.79 MAPT (0.49) MAPTTHRBHTTSMN1; SMN2ALDH1A1
SCHEMBL22338736 0.78 MEN1 (0.36) MTNR1AMTNR1BHPGDRAB9AMAPT
SCHEMBL20243550 0.76 MTNR1A (0.45) MTNR1AMTNR1BMAPTLMNAMEN1

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-20170175078-A1 CELL CULTURE SUBSTRATE COMPRISING FLUORINE-CONTAINING POLYMER ON ITS SURFACE NIPPON SHOKUBAI, CO., LTD. (JP) 2017-06-22 US disclosed