SCHEMBL9656350

SCHEMBL9656350

OCCN1CC(O)CC1CO

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGL P35573 1/20 0.44
GAA P10253 4/20 0.42
MGAM O43451 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
GBA1 P04062 1/20 0.42
LCT P09848 1/20 0.42
SI P14410 1/20 0.42
PNP P00491 1/20 0.35
SPHK2 Q9NRA0 4/20 0.33
SPHK1 Q9NYA1 4/20 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
SCHEMBL9656346 1.00 AGL (0.44) AGLGAAMGAMTDP1GBA1
SCHEMBL3426929 0.88 SPHK2 (0.35) AGLGAAMGAMTDP1GBA1
SCHEMBL3430988 0.88 SPHK2 (0.35) AGLGAAMGAMTDP1GBA1
SCHEMBL7617507 0.88 SPHK2 (0.35) AGLGAAMGAMTDP1GBA1
SCHEMBL16508748 0.83 AGL (0.37) AGLGAAMGAMTDP1GBA1
SCHEMBL3430986 0.80 PNP (0.34) AGLGAAMGAMGBA1SI
SCHEMBL3426927 0.80 PNP (0.34) AGLGAAMGAMGBA1SI
SCHEMBL23913040 0.79 SPHK1 (0.39) AGLGAAMGAMTDP1GBA1
SCHEMBL20862256 0.79 SPHK1 (0.39) AGLGAAMGAMTDP1GBA1
SCHEMBL3442530 0.79 PNP (0.34) PNPSPHK2SPHK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5089491-A Active against both gram-negative and gram-positive bacteria EISAI CO., LTD. (JP) 1992-02-18 US disclosed
EP-0264091-B1 3-PROPENYLCEPHEM DERIVATIVE, PREPARATION THEREOF, CHEMICAL INTERMEDIATES THEREIN, PHARMACEUTICAL COMPOSITION AND USE Eisai Co., Ltd. (JP) 1992-02-05 EP disclosed
US-5066812-A Chemical intermediates for bactericides EISAI CO., LTD. (JP) 1991-11-19 US disclosed
US-5006649-A Bactericides EISAI, CO. (JP) 1991-04-09 US disclosed
US-4921850-A GRAMNEGATIVE AND GRAMPOSITIVE BACTERICIDE EISAI CO., LTD. (JP) 1990-05-01 US disclosed