SCHEMBL13733103

SCHEMBL13733103

C=C(C)C(=O)OCC(O)CSc1nc2ccccc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.58
MAPT P10636 2/20 0.54
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
POLB P06746 2/20 0.50
RECQL P46063 1/20 0.50
ALOX5 P09917 6/20 0.47
MAPK1 P28482 3/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP1A2 P05177 3/20 0.46
CYP2D6 P10635 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
HIF1A Q16665 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2C9 P11712 1/20 0.45
STAT6 P42226 1/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL31711507 0.81 MAPT (0.59) APEX1MAPTALDH1A1HPGDPOLB
SCHEMBL3125420 0.81 MAPT (0.59) APEX1MAPTALDH1A1HPGDPOLB
SCHEMBL25123432 0.79 ALDH1A1 (0.50) APEX1MAPTALDH1A1HPGDPOLB
SCHEMBL25123693 0.79 APEX1 (0.62) APEX1MAPTALDH1A1HPGDPOLB
SCHEMBL15325072 0.78 TSHR (0.44) APEX1MAPTALDH1A1HPGDPOLB
SCHEMBL25123516 0.78 MAPT (0.54) APEX1MAPTALDH1A1HPGDPOLB
SCHEMBL25123441 0.78 MAPT (0.54) APEX1MAPTALDH1A1HPGDPOLB
SCHEMBL29023738 0.77 MAPT (0.66) APEX1MAPTALDH1A1HPGDPOLB
SCHEMBL774827 0.76 SMN1; SMN2 (0.55) HPGDPOLBRECQLSMN1; SMN2KMT2A
SCHEMBL20671290 0.76 MTNR1A (0.46) APEX1ALDH1A1HPGDPOLBTSHR

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-20090214797-A1 INKJET INK COMPOSITION, AND INKJET RECORDING METHOD AND PRINTED MATERIAL EMPLOYING SAME FUJIFILM CORPORATION (JP) 2009-08-27 US disclosed
US-20090214797-A1 INKJET INK COMPOSITION, AND INKJET RECORDING METHOD AND PRINTED MATERIAL EMPLOYING SAME FUJIFILM CORPORATION (JP) 2009-08-27 US disclosed