SCHEMBL8775968

SCHEMBL8775968

NC(CO)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 3/20 0.53
SLC1A3 P43003 2/20 0.53
SLC1A2 P43004 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
MEN1 O00255 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
KMT2A Q03164 1/20 0.53
EPHX1 P07099 1/20 0.46
IDO1 P14902 1/20 0.46
AGXT P21549 1/20 0.45
TSHR P16473 3/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
TACR1 P25103 2/20 0.42
ALDH1A1 P00352 2/20 0.39
PTGS1 P23219 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL1829765 0.81 EPHX1 (0.60) SLC1A1SLC1A3SLC1A2CYP1A2CYP2C19
SCHEMBL28795432 0.81 SLC1A3 (0.50) SLC1A1SLC1A3SLC1A2CYP1A2CYP2C19
SCHEMBL1870654 0.79 SLC1A3 (0.49) SLC1A1SLC1A3SLC1A2CYP1A2CYP2C19
SCHEMBL27756415 0.79 SLC1A3 (0.49) SLC1A1SLC1A3SLC1A2CYP1A2CYP2C19
SCHEMBL28224391 0.79 SLC1A3 (0.49) SLC1A1SLC1A3SLC1A2CYP1A2CYP2C19
SCHEMBL28225058 0.79 SLC1A3 (0.49) SLC1A1SLC1A3SLC1A2CYP1A2CYP2C19
SCHEMBL5028959 0.79 SLC1A1 (0.57) SLC1A1SLC1A3SLC1A2CYP1A2CYP2C19
SCHEMBL3662074 0.79 SLC1A3 (0.49) SLC1A1SLC1A3SLC1A2CYP1A2CYP2C19
SCHEMBL23735671 0.78 SLC1A1 (0.56) SLC1A1SLC1A3SLC1A2CYP1A2CYP2C19
SCHEMBL227684 0.78 TSHR (0.48) SLC1A1SLC1A3SLC1A2CYP1A2CYP2C19

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