SCHEMBL9684137

SCHEMBL9684137

NCCO[PH](=O)OCCCCCCCCCCCCCCCCCCCCCOCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.41
IDO1 P14902 1/20 0.40
SPHK1 Q9NYA1 2/20 0.40
EPHX2 P34913 2/20 0.40
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
GBA1 P04062 2/20 0.37
UGCG Q16739 2/20 0.37
GBA2 Q9HCG7 2/20 0.37
SSTR1 P30872 1/20 0.37
SSTR2 P30874 1/20 0.37
SSTR4 P31391 1/20 0.37
SSTR3 P32745 1/20 0.37
SSTR5 P35346 1/20 0.37
HTR2A P28223 2/20 0.36
CYP2A6 P11509 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL9683725 1.00 L3MBTL1 (0.44) L3MBTL1TDP1TSHRIDO1SPHK1
SCHEMBL9683788 1.00 L3MBTL1 (0.44) L3MBTL1TDP1TSHRIDO1SPHK1
SCHEMBL8733833 0.87 TSHR (0.50) L3MBTL1TDP1TSHREPHX2HRH4
SCHEMBL2333457 0.80 TSHR (0.54) L3MBTL1TDP1TSHRIDO1HRH4
SCHEMBL4230078 0.80 L3MBTL1 (0.54) L3MBTL1TDP1TSHRIDO1EPHX2
SCHEMBL6268086 0.80 L3MBTL1 (0.54) L3MBTL1TDP1TSHRIDO1EPHX2
SCHEMBL27375031 0.80 TSHR (0.54) L3MBTL1TDP1TSHRIDO1HRH4
SCHEMBL8893085 0.80 L3MBTL1 (0.54) L3MBTL1TDP1TSHRIDO1EPHX2
SCHEMBL15923248 0.80 L3MBTL1 (0.54) L3MBTL1TDP1TSHRIDO1EPHX2
Hydrochloric Acid SCHEMBL20492261 0.79 L3MBTL1 (0.53) L3MBTL1TDP1TSHRIDO1SPHK1

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
US-5145844-A Enzyme inhibitors, antiinflammatory agents, analgesics HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-09-08 US disclosed
US-5030733-A Analgesics, antiinflammatory agents, phospholipase inhibitor HOECHST-ROUSSEL PHARMACETICALS INCORPORATED (US) 1991-07-09 US disclosed