SCHEMBL4729436

SCHEMBL4729436

COc1ccccc1C1NC(c2ccccc2)C(C(=O)O)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
FABP5 Q01469 6/20 0.41
FABP3 P05413 5/20 0.41
FABP7 O15540 4/20 0.41
HTR2C P28335 2/20 0.38
EDNRA P25101 3/20 0.38
NR3C1 P04150 1/20 0.38
CYP2D6 P10635 2/20 0.37
EDNRB P24530 2/20 0.37
KDM4E B2RXH2 2/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 2/20 0.36
MASP2 O00187 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAPDH P04406 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
SCHEMBL4729434 1.00 MEN1 (0.43) MEN1KMT2AUSP2FABP5FABP3
SCHEMBL7836631 0.80 ALDH1A1 (0.51) MEN1KMT2AUSP2FABP5FABP7
SCHEMBL7836638 0.80 ALDH1A1 (0.51) MEN1KMT2AUSP2FABP5FABP7
SCHEMBL15713298 0.80 ALDH1A1 (0.51) MEN1KMT2AUSP2FABP5FABP7
SCHEMBL18091184 0.80 ALDH1A1 (0.51) MEN1KMT2AUSP2FABP5FABP7
SCHEMBL8548435 0.77 KDM4E (0.41) NR3C1KDM4EGAAALDH1A1MAPT
SCHEMBL6937090 0.75 CHRNA7 (0.42) MEN1KMT2AEDNRACYP2D6GAA
SCHEMBL9690184 0.75 FABP3 (0.46) MEN1KMT2AUSP2FABP5FABP3
SCHEMBL9061428 0.75 MEN1 (0.39) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL10477591 0.74 FABP3 (0.45) MEN1KMT2AUSP2FABP5FABP3

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-2008054233-A2 PROCESS FOR THE PREPARATION OF DOCETAXEL INSTYTUT FARMACEUTYCZNY (PL) 2008-05-08 WO claimed
WO-2008054233-A2 PROCESS FOR THE PREPARATION OF DOCETAXEL INSTYTUT FARMACEUTYCZNY (PL) 2008-05-08 WO disclosed