SCHEMBL13637203

SCHEMBL13637203

O=C(O)C1(c2ccc(OCCCOc3ccc(Cl)cc3-n3nc4ccccc4n3)cc2)CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TSHR P16473 1/20 0.47
HPGD P15428 4/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 3/20 0.39
LMNA P02545 1/20 0.39
MAP4K4 O95819 1/20 0.38
POLB P06746 1/20 0.38
AKR1C1 Q04828 1/20 0.38
PPARG P37231 2/20 0.37
PPARD Q03181 2/20 0.37

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
SCHEMBL13637207 0.99 KMT2A (0.50) MEN1KMT2ATSHRHPGDKDM4E
SCHEMBL13637198 0.97 KMT2A (0.47) MEN1KMT2ATSHRHPGDKDM4E
SCHEMBL13637201 0.95 KMT2A (0.44) MEN1KMT2ATSHRHPGDKDM4E
SCHEMBL13441644 0.83 PPARA (0.42) KMT2AHPGDKDM4EALDH1A1CYP1A2
SCHEMBL3593824 0.81 PPARG (0.51) HPGDKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL3576162 0.80 LTB4R (0.48) HPGDKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL3579483 0.77 KDM4E (0.47) KMT2AHPGDKDM4EALDH1A1CYP1A2
SCHEMBL3587069 0.77 KDM4E (0.46) KMT2AHPGDKDM4EALDH1A1CYP1A2
SCHEMBL3587335 0.77 KDM4E (0.46) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL3581610 0.77 KDM4E (0.45) HPGDKDM4EALDH1A1CYP1A2CYP2C9

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
US-7622491-B2 Type 2 diabetes, atherosclerosis, cardiovascular disease, Syndrome X; carboxylic acids with dialkyldiether or thioether linking groups e.g. {4-[3-(2-Benzotriazol-2-yl-4-chloro-phenoxy)-propoxy]-phenyl}-acetic acid and {4-[3-(2-benzotriazol-2-yl-4-thiophen-2-yl-phenoxy)-propoxy]-phenyl}-acetic acid METABOLEX INC. (US) 2009-11-24 US disclosed