SCHEMBL27520398

SCHEMBL27520398

CCCCCCNC(O)C(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 3/20 0.42
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
XBP1 P17861 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ABCB11 O95342 1/20 0.39
EGFR P00533 1/20 0.39
ESR1 P03372 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
FYN P06241 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
SCHEMBL8871029 1.00 EPHX1 (0.44) EPHX1ALDH1A1KDM4ETSHRADH1B
SCHEMBL8871460 1.00 EPHX1 (0.44) EPHX1ALDH1A1KDM4ETSHRADH1B
SCHEMBL27630557 1.00 EPHX1 (0.44) EPHX1ALDH1A1KDM4ETSHRADH1B
Bromide SCHEMBL28618676 0.98 EPHX1 (0.42) EPHX1ALDH1A1KDM4ETSHRADH1B
Bromide SCHEMBL28663439 0.98 EPHX1 (0.42) EPHX1ALDH1A1KDM4ETSHRADH1B
Bromide SCHEMBL28490601 0.98 EPHX1 (0.42) EPHX1ALDH1A1KDM4ETSHRADH1B
Hydrochloric Acid SCHEMBL28112799 0.98 EPHX1 (0.42) EPHX1ALDH1A1KDM4ETSHRADH1B
Bromide SCHEMBL10861779 0.98 EPHX1 (0.42) EPHX1ALDH1A1KDM4ETSHRADH1B
Water SCHEMBL16411956 0.98 EPHX1 (0.42) EPHX1ALDH1A1KDM4ETSHRADH1B
Hydrochloric Acid SCHEMBL27868020 0.98 EPHX1 (0.42) EPHX1ALDH1A1KDM4ETSHRADH1B

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
CN-1197945-C Builder for detergents and detergent SANYO CHEMICAL IND LTD (JP) 2005-04-20 CN disclosed
CN-1290293-A Builder for detergents and detergent SANYO CHEMICAL IND LTD (JP) 2001-04-04 CN disclosed