SCHEMBL22983076

SCHEMBL22983076

CCOC(=O)CC[C@H]1CCN(C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALDH1A1 P00352 5/20 0.42
TSHR P16473 3/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL26619717 1.00 MAPT (0.44) MAPTALDH1A1TSHRLMNAPOLB
SCHEMBL22982975 0.91 ALDH1A1 (0.45) MAPTALDH1A1TSHRLMNAPOLB
SCHEMBL1721027 0.91 MAPT (0.43) MAPTALDH1A1TSHRLMNAPOLB
SCHEMBL18497368 0.87 TSHR (0.41) MAPTALDH1A1TSHRLMNAPOLB
SCHEMBL14151907 0.84 L3MBTL1 (0.42) MAPTALDH1A1TSHRLMNAPOLB
SCHEMBL1903978 0.84 L3MBTL1 (0.42) MAPTALDH1A1TSHRLMNAPOLB
SCHEMBL14152197 0.84 L3MBTL1 (0.42) MAPTALDH1A1TSHRLMNAPOLB
SCHEMBL32687346 0.82 ALDH1A1 (0.45) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL23006556 0.82 ALDH1A1 (0.45) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL26619731 0.82 ALDH1A1 (0.45) MAPTALDH1A1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4013759-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2022-06-22 EP disclosed
CN-114585628-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2022-06-03 CN disclosed
WO-2021030556-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-18 WO disclosed