SCHEMBL24136195

SCHEMBL24136195

CCOc1cccc(OCCC(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.61
LMNA P02545 3/20 0.61
MAPK1 P28482 3/20 0.61
KDM4E B2RXH2 4/20 0.57
HPGD P15428 1/20 0.56
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.51
FFAR1 O14842 2/20 0.51
FFAR4 Q5NUL3 2/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL5067089 0.86 LMNA (0.70) L3MBTL1LMNAMAPK1KDM4EHPGD
SCHEMBL30885868 0.86 LMNA (0.70) L3MBTL1LMNAMAPK1KDM4EHPGD
SCHEMBL19043148 0.85 L3MBTL1 (0.72) L3MBTL1LMNAMAPK1KDM4EALDH1A1
SCHEMBL2741520 0.85 LMNA (0.54) L3MBTL1LMNAMAPK1KDM4EALDH1A1
SCHEMBL10082820 0.84 ALDH1A1 (0.57) L3MBTL1LMNAALDH1A1KMT2ATSHR
SCHEMBL2777259 0.83 L3MBTL1 (0.64) L3MBTL1LMNAMAPK1KDM4EHPGD
SCHEMBL31302989 0.83 L3MBTL1 (0.64) L3MBTL1LMNAMAPK1KDM4EHPGD
SCHEMBL22434873 0.83 L3MBTL1 (0.59) L3MBTL1LMNAMAPK1KDM4EALDH1A1
SCHEMBL15063356 0.82 LMNA (0.74) L3MBTL1LMNAMAPK1KDM4EHPGD
Hydrochloric Acid SCHEMBL2777750 0.81 L3MBTL1 (0.62) L3MBTL1LMNAMAPK1KDM4EHPGD

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
EP-3928836-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2021-12-29 EP disclosed