SCHEMBL6701375

SCHEMBL6701375

COC(=O)c1cccc(Cn2c(C(=O)Nc3nc(-c4cc(OC)c(C)cc4OC)c(C(C)C4CCCCC4)s3)cc3cc(C)cc(C)c32)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 5/20 0.36
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34
ROCK2 O75116 3/20 0.34
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 2/20 0.33
TRPV4 Q9HBA0 1/20 0.33
IDO1 P14902 1/20 0.33
PDE4B Q07343 2/20 0.32
PDE7A Q13946 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
THRB P10828 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
F10 P00742 1/20 0.32

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
SCHEMBL6701378 0.86 PPM1D (0.36) ACKR3SAE1UBA2ROCK2KMT2A
SCHEMBL6700553 0.85 CHRM4 (0.33) SAE1UBA2ROCK2KMT2AMAPT
SCHEMBL6701383 0.84 SAE1 (0.34) SAE1UBA2ROCK2KMT2APOLB
SCHEMBL6703576 0.80 MAPT (0.36) ACKR3SAE1UBA2MAPTTRPV4
SCHEMBL27581687 0.80 PPM1D (0.36) ACKR3ROCK2MAPTTRPV4SMN1; SMN2
SCHEMBL6702286 0.80 MAPT (0.32) SAE1ROCK2KMT2AMAPTSMN1; SMN2
SCHEMBL6704409 0.80 MAPT (0.32) SAE1ROCK2KMT2AMAPTTRPV4
SCHEMBL7686588 0.80 F10 (0.36) KMT2AMAPTSMN1; SMN2THRBKDM4E
SCHEMBL6703562 0.79 MAPT (0.33) KMT2AMAPTTRPV4SMN1; SMN2KDM4E
SCHEMBL6703026 0.79 MAPT (0.34) KMT2AMAPTTRPV4SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040198793-A1 Chemical process and new intermediates SANOFI-SYNTHELABO (FR) 2004-10-07 US disclosed
EP-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed