SCHEMBL8005553

SCHEMBL8005553

COc1ccc(C=CC2=NN=C(C)Cc3cc(OC)c(OC)cc32)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A1 P04798 8/20 0.39
CYP1B1 Q16678 7/20 0.39
CYP1A2 P05177 3/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39

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
SCHEMBL8005552 1.00 MAPT (0.40) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL9069223 0.93 MAPK10 (0.43) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL8346366 0.92 MAPT (0.48) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL8346367 0.92 MAPT (0.48) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL10479299 0.84 APP (0.49) MAPTCYP1A2NFE2L2PTGS2TTR
SCHEMBL10479300 0.84 APP (0.49) MAPTCYP1A2NFE2L2PTGS2TTR
SCHEMBL7993260 0.83 MAPT (0.44) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL8343851 0.83 CYP19A1 (0.52) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL7993262 0.83 MAPT (0.44) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL8346996 0.83 TUBB4A (0.45) MAPTALDH1A1HPGDSMN1; SMN2KDM4E

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
WO-2000020005-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING AN OPIATE ANALGESIC AND A SYNERGIZING SUBSTANCE EGIS Gyógyszergyár Rt. (HU) 2000-04-13 WO claimed
WO-2000020005-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING AN OPIATE ANALGESIC AND A SYNERGIZING SUBSTANCE EGIS Gyógyszergyár Rt. (HU) 2000-04-13 WO disclosed