SCHEMBL29137145

SCHEMBL29137145

CCCCCC(OCCC)ON=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.40
TP53 P04637 1/20 0.34
CA1 P00915 7/20 0.32
CA2 P00918 7/20 0.32
CA9 Q16790 7/20 0.32
FDPS P14324 4/20 0.32
OPRM1 P35372 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.32
GPR84 Q9NQS5 3/20 0.31
CA12 O43570 2/20 0.31
CA3 P07451 2/20 0.31
CA4 P22748 2/20 0.31
CA6 P23280 2/20 0.31
CA5A P35218 2/20 0.31
CA7 P43166 2/20 0.31
CA14 Q9ULX7 2/20 0.31
CA5B Q9Y2D0 2/20 0.31
FFAR1 O14842 1/20 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
SCHEMBL29137133 0.98 SMPD1 (0.43) SMPD1CA1CA2CA9FDPS
SCHEMBL29137144 0.98 SMPD1 (0.43) SMPD1CA1CA2CA9FDPS
SCHEMBL29137162 0.98 SMPD1 (0.43) SMPD1CA1CA2CA9FDPS
SCHEMBL29137149 0.86 SMPD1 (0.41) SMPD1TP53CA1FDPSOPRM1
SCHEMBL28010753 0.85 SMPD1 (0.47) SMPD1TP53CA1FDPSOPRM1
SCHEMBL29137137 0.84 SMPD1 (0.44) SMPD1TP53FDPSOPRM1ZDHHC7
SCHEMBL29137163 0.84 SMPD1 (0.44) SMPD1TP53FDPSOPRM1ZDHHC7
SCHEMBL29137148 0.84 SMPD1 (0.44) SMPD1TP53FDPSOPRM1ZDHHC7
SCHEMBL29137153 0.84 SMPD1 (0.44) SMPD1TP53FDPSOPRM1ZDHHC7
SCHEMBL3381796 0.83 SMPD1 (0.43) SMPD1TP53CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113574041-B Bisphenol production method and polycarbonate resin production method 三菱化学株式会社 2023-10-13 CN disclosed