SCHEMBL7783457

SCHEMBL7783457

OCC(O)COOCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CYP1A2 P05177 3/20 0.43
KDM4E B2RXH2 2/20 0.43
AGTR1 P30556 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 4/20 0.41
MEN1 O00255 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 2/20 0.40
IDO1 P14902 1/20 0.39
AGXT P21549 1/20 0.38
CA4 P22748 1/20 0.38
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL9694660 1.00 CA1 (0.49) CA1CA2CA7CA9CYP1A2
Bicarbonate SCHEMBL1988294 0.95 CA1 (0.45) CA1CA2CA7CA9CYP1A2
SCHEMBL620071 0.90 CA1 (0.53) CA1CA2CA7CA9CYP1A2
SCHEMBL4412607 0.83 CA1 (0.43) CA1CA2CA7CA9CYP1A2
SCHEMBL122306 0.82 CA1 (0.70) CA1CA2CA7CA9CYP1A2
SCHEMBL218661 0.82 CA1 (0.70) CA1CA2CA7CA9CYP1A2
SCHEMBL508126 0.82 CA1 (0.70) CA1CA2CA7CA9CYP1A2
SCHEMBL16269805 0.82 CA1 (0.70) CA1CA2CA7CA9CYP1A2
SCHEMBL23709965 0.82 MRGPRX4 (0.41) CA1CA2CA7CA9CYP1A2
SCHEMBL16617462 0.81 CA1 (0.46) CA1CA2CA7CA9LMNA

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-0914393-B1 INK COMPOSITION BIC CORP (US) 2001-09-26 EP claimed
EP-0626863-A1 FORMULATIONS CONTAINING HYALURONIC ACID HYAL PHARMACEUTICAL CORPORATION (CA) 1994-12-07 EP disclosed
WO-1993016732-A1 FORMULATIONS CONTAINING HYALURONIC ACID NORPHARMCO INC. (CA) 1993-09-02 WO disclosed