SCHEMBL8775978

SCHEMBL8775978

NCC(O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.49
SLC1A2 P43004 2/20 0.49
SLC1A1 P43005 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
KMT2A Q03164 1/20 0.49
IDO1 P14902 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
CA1 P00915 4/20 0.46
AGXT P21549 1/20 0.45
TSHR P16473 1/20 0.44
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA7 P43166 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.41
LTA4H P09960 1/20 0.40

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
SCHEMBL29172647 0.83 CA1 (0.48) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19
SCHEMBL2182396 0.81 CA1 (0.47) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19
SCHEMBL2223254 0.81 CA1 (0.47) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19
SCHEMBL1357789 0.81 CA1 (0.47) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19
SCHEMBL345617 0.79 CA1 (0.46) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19
SCHEMBL4849161 0.79 CA1 (0.46) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19
SCHEMBL23735671 0.78 SLC1A1 (0.56) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19
SCHEMBL4299693 0.78 IDO1 (0.50) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19
SCHEMBL17264302 0.78 IDO1 (0.50) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19
SCHEMBL6774653 0.78 TSHR (0.52) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19

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
EP-0513358-B1 PROCESS FOR PRODUCING CYCLODEXTRIN DERIVATIVE AND POLYMER CONTAINING CYCLODEXTRIN IMMOBILIZED THEREIN TOPPAN PRINTING CO LTD (JP) 1997-10-01 EP disclosed
US-5608015-A Processes for producing cyclodextrin derivatives and polymers containing immobilized cyclodextrin therein TOPPAN PRINTING CO., LTD. (JP) 1997-03-04 US disclosed
EP-0513358-A1 PROCESS FOR PRODUCING CYCLODEXTRIN DERIVATIVE AND POLYMER CONTAINING CYCLODEXTRIN IMMOBILIZED THEREIN Toppan Printing Co., Ltd. (JP) 1992-11-19 EP disclosed