SCHEMBL3678742

SCHEMBL3678742

CC(CO)Cc1ccccc1C(=O)CCCCl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.34
ABCB1 P08183 6/20 0.33
FOLH1 Q04609 2/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
GMNN O75496 2/20 0.33
POLB P06746 2/20 0.33
HPGD P15428 2/20 0.33
MAPK1 P28482 2/20 0.33
BLM P54132 2/20 0.33
PMP22 Q01453 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CMKLR1 Q99788 2/20 0.33
TSHR P16473 2/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL11706328 0.80 HTT (0.40) ALDH1A1LMNAMAPTTDP1TSHR
SCHEMBL7758673 0.77 FOLH1 (0.49) ELANEFOLH1ALDH1A1MAPTTSHR
SCHEMBL4489861 0.75 SLC16A3 (0.40) FOLH1ALDH1A1LMNAMAPTTDP1
SCHEMBL11709541 0.72 CTNNB1 (0.57) MEN1HPGDKMT2ACTNNB1WNT3A
SCHEMBL3678741 0.71 ABCB1 (0.34) ABCB1ALDH1A1LMNAMAPTTDP1
SCHEMBL1502390 0.71 ABL1 (0.38) ELANELMNATDP1POLBNPSR1
SCHEMBL27880348 0.70 ERCC5 (0.53) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL5520169 0.70 CYP19A1 (0.54) ALDH1A1LMNAMAPTTDP1KDM4E
SCHEMBL3112839 0.70 L3MBTL1 (0.39) ALDH1A1LMNAMAPTTDP1MAPK1
SCHEMBL27962512 0.70 HTT (0.45) ALDH1A1LMNAMAPTMEN1KMT2A

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
EP-2261207-A1 Intermediates for the preparation of antihistaminic 4-diphenylmethyl/diphenylmethoxy piperidine derivatives Aventisub II Inc. (US) 2010-12-15 EP disclosed