SCHEMBL7106601

SCHEMBL7106601

C=C(C)C(=O)Oc1ccc(C(CC)c2ccc(OC(=O)C(=C)C)c(OCCC)c2OCCC)c(OCCC)c1OCCC

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ELANE P08246 1/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KMT2A Q03164 2/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.33
KDM4E B2RXH2 2/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
AKR1C3 P42330 1/20 0.31
CREBBP Q92793 1/20 0.31
ALDH1A1 P00352 1/20 0.30
PTPN1 P18031 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
SCHEMBL2457034 0.91 L3MBTL1 (0.36) HSD17B10ELANEPOLBAPEX1HTT
SCHEMBL7084467 0.88 MAPT (0.35) MAPTHSD17B10SMN1; SMN2KMT2ACA9
SCHEMBL9223957 0.83 L3MBTL1 (0.40) HSD17B10ELANETDP1SMN1; SMN2KDM4E
SCHEMBL11709701 0.78 MTNR1A (0.35) MAPTHSD17B10ELANEPOLBAPEX1
SCHEMBL30384943 0.77 CA9 (0.33) MAPTHSD17B10ELANEPOLBAPEX1
SCHEMBL66195 0.77 CA9 (0.33) MAPTHSD17B10ELANEPOLBAPEX1
SCHEMBL10385058 0.75 KDM4E (0.44) HSD17B10ELANETDP1SMN1; SMN2CA9
SCHEMBL28027609 0.75 CA9 (0.36) MAPTHSD17B10ELANEPOLBAPEX1
SCHEMBL28124909 0.74 MTNR1A (0.36) MAPTHSD17B10POLBHTTSMN1; SMN2
SCHEMBL8922974 0.73 LMNA (0.37) ELANEKMT2AKDM4ETSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0867753-B1 Organic nonlinear optical material and nonlinear optical element using the same MITSUBISHI ELECTRIC CORP (JP) 2003-04-09 EP disclosed
US-6086794-A LIGHT TRANSMITTING MEDIUM AS WAVEGUIDE AND OPTICAL ELEMENT MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 2000-07-11 US disclosed
EP-0867753-A1 Organic nonlinear optical material and nonlinear optical element using the same MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1998-09-30 EP disclosed