SCHEMBL9504528

SCHEMBL9504528

Cc1cc(C(=O)O)cnc1C.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.48
P4HA1 P13674 2/20 0.45
P4HTM Q9NXG6 2/20 0.45
MIF P14174 1/20 0.45
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.44
HCAR3 P49019 1/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
MGAM O43451 1/20 0.43
TPMT P51580 1/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
GABRP O00591 2/20 0.40
GABRD O14764 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRG2 P18507 2/20 0.40

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
SCHEMBL846024 0.98 HCAR2 (0.50) HCAR2P4HA1P4HTMMIFKDM4E
SCHEMBL6628143 0.81 SMN1; SMN2 (0.40) P4HA1P4HTMMIFKDM4EHCAR3
SCHEMBL30668508 0.79 HCAR2 (0.48) HCAR2P4HA1P4HTMMIFKDM4E
SCHEMBL4121189 0.79 HCAR2 (0.48) HCAR2P4HA1P4HTMMIFKDM4E
SCHEMBL13069420 0.79 CYP2A6 (0.34) HCAR2P4HA1P4HTMMIFKDM4E
SCHEMBL31681508 0.79 HCAR2 (0.48) HCAR2P4HA1P4HTMMIFKDM4E
SCHEMBL15350036 0.79 HCAR2 (0.48) HCAR2P4HA1P4HTMMIFKDM4E
SCHEMBL6052889 0.79 HCAR2 (0.48) HCAR2P4HA1P4HTMMIFKDM4E
SCHEMBL2601852 0.79 HCAR2 (0.48) HCAR2P4HA1P4HTMMIFKDM4E
SCHEMBL12707121 0.79 KCNQ3 (0.37) HCAR2P4HA1P4HTMMIFKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0272903-B1 PROCESS FOR PRODUCING A POLYARYLENE SULFIDE Tosoh Corporation (JP) 1993-07-21 EP claimed
US-4794163-A HIGH MOLECULAR WEIGHT, HEAT RESISTANCE TOSOH CORPORATION (JP) 1988-12-27 US claimed
EP-0272903-A2 Process for producing a polyarylene sulfide Tosoh Corporation (JP) 1988-06-29 EP claimed
EP-0272903-B1 PROCESS FOR PRODUCING A POLYARYLENE SULFIDE Tosoh Corporation (JP) 1993-07-21 EP disclosed
US-4794163-A HIGH MOLECULAR WEIGHT, HEAT RESISTANCE TOSOH CORPORATION (JP) 1988-12-27 US disclosed
EP-0272903-A2 Process for producing a polyarylene sulfide Tosoh Corporation (JP) 1988-06-29 EP disclosed