SCHEMBL17028384

SCHEMBL17028384

CC1OC1Oc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MAOB P27338 4/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
MAOA P21397 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
BCHE P06276 1/20 0.49
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47

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
SCHEMBL8693136 0.86 MAOB (0.59) MAOBMAOABCHENR4A2ALOX5
SCHEMBL14501326 0.81 PTGS1 (0.55) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8693129 0.80 MAPT (0.51) GAAMAPTL3MBTL1
SCHEMBL11229037 0.80 MRGPRX4 (0.47) CYP1A2CYP2C19RAB9ASMN1; SMN2NPC1
SCHEMBL23542104 0.78 LMNA (0.55) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL339813 0.78 LMNA (0.82) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL10945428 0.78 LMNA (0.39) LMNASMN1; SMN2
SCHEMBL8823952 0.77 LTA4H (0.48) LMNASMN1; SMN2MAOAHPGD
SCHEMBL335356 0.74 TSHR (0.44) CYP2C19MAPTL3MBTL1
SCHEMBL4621113 0.74 TSHR (0.44) CYP2C19MAPTL3MBTL1

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
EP-3122350-A2 METHOD OF IMPROVING COGNITION AND SOCIAL BEHAVIOR IN HUMANS HAVING DEFICITS THEREIN DUE TO NEUROLOGICAL DISORDERS AND COMPOUNDS AND COMPOSITIONS THEREFOR The Board of Trustees of The Leland Stanford Junior University (US) 2017-02-01 EP disclosed
WO-2015126915-A2 METHOD OF IMPROVING COGNITION AND SOCIAL BEHAVIOR IN HUMANS HAVING DEFICITS THEREIN DUE TO NEUROLOGICAL DISORDERS AND COMPOUNDS AND COMPOSITIONS THEREFOR THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-08-27 WO disclosed