SCHEMBL3737768

SCHEMBL3737768

COc1ccc(C=C(C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)cc1.ClCC1CO1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.31
PKM P14618 1/20 0.31
GAA P10253 2/20 0.31

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
SCHEMBL78186 0.89 HTT (0.40) ALDH1A1SMN1; SMN2HTTKDM4EKMT2A
SCHEMBL24453525 0.85 HTT (0.38) ALDH1A1SMN1; SMN2HTTKDM4EKMT2A
SCHEMBL14001979 0.83 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2HTTKDM4EKMT2A
SCHEMBL7193144 0.83 HTT (0.42) ALDH1A1RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL21298584 0.81 HTT (0.37) ALDH1A1RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL23071653 0.81 RAB9A (0.35) ALDH1A1RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL13568624 0.80 ALDH1A1 (0.34) ALDH1A1RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL5139605 0.79 NR1H4 (0.43) ALDH1A1RAB9AHTTKDM4EKMT2A
SCHEMBL17919822 0.77 L3MBTL1 (0.33) ALDH1A1RAB9AHTT
SCHEMBL14303710 0.77 ALDH1A1 (0.43) ALDH1A1HTTKDM4EKMT2AMEN1

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
US-7829484-B2 Wettable polyester fibers and fabrics CIBA SPECIALTY CHEMICALS CORP. (US) 2010-11-09 US disclosed
US-20070117482-A1 Wettable polyester fibers and fabrics CIBA SPECIALTY CHEMICALS CORP. 2007-05-24 US disclosed