SCHEMBL7993260

SCHEMBL7993260

COc1cc2c(cc1OC)C(/C=C/c1ccc(O)cc1)=NN=C(C)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
APP P05067 1/20 0.44
PTGS2 P35354 4/20 0.43
CYP1A1 P04798 3/20 0.43
PTGS1 P23219 2/20 0.43
CHEK1 O14757 3/20 0.42
TTR P02766 2/20 0.40
ALOX5 P09917 2/20 0.40
CYP1B1 Q16678 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ABCB1 P08183 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ABL1 P00519 1/20 0.40
GAA P10253 1/20 0.40
BCR P11274 1/20 0.40
NQO2 P16083 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL7993262 1.00 MAPT (0.44) MAPTAPPPTGS2CYP1A1PTGS1
SCHEMBL8346367 0.89 MAPT (0.48) MAPTAPPPTGS2CYP1A1PTGS1
SCHEMBL8346366 0.89 MAPT (0.48) MAPTAPPPTGS2CYP1A1PTGS1
SCHEMBL10479300 0.88 APP (0.49) MAPTAPPPTGS2CHEK1TTR
SCHEMBL10479299 0.88 APP (0.49) MAPTAPPPTGS2CHEK1TTR
SCHEMBL8346996 0.88 TUBB4A (0.45) MAPTAPPCYP1A1CHEK1CYP1B1
SCHEMBL8346999 0.88 TUBB4A (0.45) MAPTAPPCYP1A1CHEK1CYP1B1
SCHEMBL8343851 0.88 CYP19A1 (0.52) MAPTCHEK1KDM4EABCB1MEN1
SCHEMBL8343855 0.88 CYP19A1 (0.52) MAPTCHEK1KDM4EABCB1MEN1
SCHEMBL10479298 0.87 CES2 (0.37) MAPTAPPPTGS2CYP1A1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000020005-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING AN OPIATE ANALGESIC AND A SYNERGIZING SUBSTANCE EGIS Gyógyszergyár Rt. (HU) 2000-04-13 WO claimed
US-4840948-A CARDIOTONIC AGENTS EGIS GYOGYSZERGYAR (HU) 1989-06-20 US claimed
WO-2000020005-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING AN OPIATE ANALGESIC AND A SYNERGIZING SUBSTANCE EGIS Gyógyszergyár Rt. (HU) 2000-04-13 WO disclosed
US-4840948-A CARDIOTONIC AGENTS EGIS GYOGYSZERGYAR (HU) 1989-06-20 US disclosed