SCHEMBL7439487

SCHEMBL7439487

O=C(OCc1ccccc1)c1ccc2c(c1)CCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
LMNA P02545 3/20 0.52
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
TSHR P16473 4/20 0.51
POLB P06746 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CTNNB1 P35222 1/20 0.51
WNT3A P56704 1/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HPGD P15428 3/20 0.51
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
ACHE P22303 1/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL21323158 0.85 TSHR (0.68) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6836717 0.84 MAPT (0.56) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL25567809 0.80 GRM5 (0.52) KMT2ATDP1NPC1RAB9APOLB
SCHEMBL8322382 0.79 RAB9A (0.53) NPC1RAB9APOLBCTNNB1WNT3A
Hydrochloric Acid SCHEMBL27533265 0.78 LMNA (0.46) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6855344 0.77 ITGB3 (0.48) KMT2ATDP1SLC6A2SLC6A3LMNA
Hydrochloric Acid SCHEMBL6855339 0.77 ITGB3 (0.48) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL3814675 0.77 ATM (0.50) NPC1RAB9ATSHRPOLBSMN1; SMN2
SCHEMBL6194884 0.77 RAB9A (0.40) KMT2ATDP1NPC1RAB9ATSHR
SCHEMBL1115098 0.76 MAPT (0.63) KMT2ATDP1SLC6A2SLC6A3LMNA

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
WO-2022011091-A1 TREATMENT OF CANCER, INFLAMMATORY DISEASES AND AUTOIMMUNE DISEASES USHER III INITIATIVE, INC. (US) 2022-01-13 WO disclosed
EP-0375451-A2 Compounds having a renin-inhibiting activity BEECHAM GROUP PLC (GB) 1990-06-27 EP disclosed
EP-0350163-A2 Renin inhibitory peptides BEECHAM GROUP PLC (GB) 1990-01-10 EP disclosed