SCHEMBL5080194

SCHEMBL5080194

NC(CCC(=O)O)Oc1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.45
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 4/20 0.43
HPGD P15428 3/20 0.43
LMNA P02545 1/20 0.43
SLC6A9 P48067 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 1/20 0.40
CAMK2A Q9UQM7 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
SLC1A5 Q15758 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 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
SCHEMBL7538331 0.78 CYP1A2 (0.44) ALDH1A1CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL11708358 0.77 ALDH1A1 (0.43) ALDH1A1KMT2AHPGDLMNASLC6A9
SCHEMBL7179651 0.76 ALDH1A1 (0.44) CXCL8ALDH1A1KMT2AHPGDLMNA
SCHEMBL11705985 0.73 ALDH1A1 (0.42) ALDH1A1KMT2AHPGDLMNASLC6A9
SCHEMBL811540 0.72 CYP2D6 (0.42) ALDH1A1LMNAMAPTCYP1A2CYP2D6
SCHEMBL578719 0.71 LMNA (0.64) CXCL8KMT2AHPGDLMNARXRA
Hydrochloric Acid SCHEMBL22831448 0.71 CYP2D6 (0.41) ALDH1A1LMNAMAPTCYP1A2CYP2D6
SCHEMBL1814149 0.71 PPARA (0.51) CXCL8ALDH1A1KMT2AHPGDLMNA
Hydrochloric Acid SCHEMBL2778473 0.71 CYP2D6 (0.41) ALDH1A1LMNAMAPTCYP1A2CYP2D6
SCHEMBL9068873 0.71 KMT2A (0.48) CXCL8ALDH1A1KMT2AHPGDLMNA

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
EP-1976873-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS Brystol-Myers Squibb Company (US) 2008-10-08 EP disclosed
WO-2007082264-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-19 WO disclosed