SCHEMBL17899737

SCHEMBL17899737

OCCCCOc1ccc2c(c1)CC2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
ALOX15 P16050 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
HRH1 P35367 1/20 0.46
PDK2 Q15119 3/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
SCHEMBL20403001 0.88 HRH3 (0.54) HRH3KDM4EPOLBSMN1; SMN2ALOX15
SCHEMBL8185098 0.83 DRD1 (0.55) HRH3SMN1; SMN2ALDH1A1HRH1
SCHEMBL8187878 0.82 DRD1 (0.53) HRH3
SCHEMBL8176019 0.82 DRD1 (0.53) HRH3
Ammonia Solution, Strong SCHEMBL28478863 0.82 PDK2 (0.45) PDK2
SCHEMBL20005309 0.82 PPARG (0.57) HRH3KDM4EPOLBSMN1; SMN2ALOX15
SCHEMBL10071527 0.81 HRH3 (0.53) HRH3KDM4EPOLBSMN1; SMN2ALOX15
SCHEMBL2623212 0.81 HRH3 (0.53) HRH3KDM4EPOLBSMN1; SMN2ALOX15
SCHEMBL30778174 0.81 TSHR (0.60) KDM4EPOLBSMN1; SMN2ALOX15TSHR
SCHEMBL10071518 0.81 HRH3 (0.55) HRH3KDM4EPOLBSMN1; SMN2ALOX15

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
EP-2272894-B1 POLYMER COMPOUND, RETICULATED POLYMER COMPOUND PRODUCED BY CROSSLINKING THE POLYMER COMPOUND, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY, AND ORGANIC EL LIGHTING MITSUBISHI CHEM CORP (JP) 2016-07-06 EP disclosed