SCHEMBL722606

SCHEMBL722606

O=C(OP(=O)(O)O)C(CO)OP(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.36
PEPD P12955 1/20 0.32
SMPD1 P17405 3/20 0.31

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
SCHEMBL6520684 0.78 PGK1 (0.34)
SCHEMBL2726719 0.77 PGK1 (0.40) PEPDSMPD1
SCHEMBL77985 0.77 PGK1 (0.40) PEPDSMPD1
SCHEMBL28012475 0.77 PGK1 (0.40) PEPDSMPD1
SCHEMBL8139325 0.77 SMPD1 (0.36) SMPD1
SCHEMBL31402727 0.76 KDM4E (0.38)
SCHEMBL19583579 0.76 SMPD1 (0.31) SMPD1
SCHEMBL30990064 0.76 SMPD1 (0.31) SMPD1
SCHEMBL9802024 0.76 CA4 (0.42) CA4PEPD
SCHEMBL1804921 0.76 CA4 (0.42) CA4PEPD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3942058-A1 IMPROVED MEANS AND METHODS FOR PRODUCING ISOBUTENE FROM ACETYL-COA Global Bioenergies (FR) 2022-01-26 EP disclosed
WO-2020188033-A1 IMPROVED MEANS AND METHODS FOR PRODUCING ISOBUTENE FROM ACETYL-COA GLOBAL BIOENERGIES (FR) 2020-09-24 WO disclosed
WO-2014118474-A1 METHOD FOR DETECTING A COLORECTAL CANCER bioMérieux (FR) 2014-08-07 WO disclosed
WO-2012027533-A1 SELECTABLE MARKERS AND RELATED METHODS GT LIFE SCIENCES, INC. (US) 2012-03-01 WO disclosed