SCHEMBL6852515

SCHEMBL6852515

COc1ccc(-c2ccc(/C=C/CO)cc2)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
PPARG P37231 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
MAPT P10636 7/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
RECQL P46063 1/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36

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
SCHEMBL6852522 1.00 LMNA (0.40) LMNANPC1RAB9ATP53POLB
SCHEMBL8828251 0.83 PAM (0.47) LMNANPC1RAB9ATP53POLB
SCHEMBL8828244 0.83 PAM (0.47) LMNANPC1RAB9ATP53POLB
SCHEMBL6854227 0.81 ALDH1A1 (0.39) LMNANPC1RAB9AMAPTALDH1A1
SCHEMBL6854224 0.81 ALDH1A1 (0.39) LMNANPC1RAB9AMAPTALDH1A1
SCHEMBL6854142 0.80 LMNA (0.43) LMNANPC1RAB9ATP53POLB
SCHEMBL6854161 0.77 LMNA (0.39) LMNANPC1RAB9ATP53POLB
SCHEMBL6854157 0.77 LMNA (0.39) LMNANPC1RAB9ATP53POLB
SCHEMBL6854162 0.77 LMNA (0.39) LMNANPC1RAB9ATP53POLB
SCHEMBL7225328 0.76 NPC1 (0.49) LMNANPC1RAB9ATP53POLB

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-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO disclosed