SCHEMBL7745479

SCHEMBL7745479

COC(=O)c1ccc(CO/N=C2/C(=O)N(CC(=O)Cl)c3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
MAPT P10636 4/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.44
HSP90AA1 P07900 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43

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
SCHEMBL7740953 0.91 ALDH1A1 (0.45) ALDH1A1MAPTPOLBLMNAKDM4E
SCHEMBL7745310 0.86 POLB (0.45) ALDH1A1MAPTPOLBLMNAKDM4E
SCHEMBL7746032 0.77 FFAR4 (0.39) MAPTLMNAKMT2A
SCHEMBL7745904 0.74 DRD2 (0.44) ALDH1A1MAPTPOLBLMNAKDM4E
SCHEMBL7740752 0.74 DRD2 (0.44) ALDH1A1MAPTPOLBLMNA
SCHEMBL7741406 0.74 DRD2 (0.44) ALDH1A1MAPTPOLBLMNANPSR1
SCHEMBL7740267 0.73 ALDH1A1 (0.46) ALDH1A1MAPTPOLBLMNAKDM4E
SCHEMBL281270 0.72 CES1 (0.63) ALDH1A1MAPTTP53
SCHEMBL14597968 0.70 HDAC1 (0.67) POLBKMT2AHPGDTP53PTPN1
SCHEMBL7745438 0.68 MEN1 (0.60) ALDH1A1MAPTPOLBKMT2AHTT

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
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed