SCHEMBL7708032

SCHEMBL7708032

O=C(CCOCc1ccccc1)CCOCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
FOLH1 Q04609 1/20 0.45
EPHX2 P34913 1/20 0.44
SLC1A1 P43005 1/20 0.44
KEAP1 Q14145 1/20 0.43

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
SCHEMBL11895814 0.91 TSHR (0.47) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL15862001 0.90 NPC1 (0.50) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL28739368 0.90 ALDH1A1 (0.52) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL2315674 0.89 TSHR (0.48) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL12655265 0.89 TSHR (0.48) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL8316692 0.89 SMN1; SMN2 (0.49) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL19734678 0.88 TSHR (0.50) TSHRSMN1; SMN2HTTALDH1A1TDP1
SCHEMBL508419 0.88 TSHR (0.56) TSHRSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL19586372 0.87 TEAD3 (0.45) TSHRSMN1; SMN2HTTALDH1A1LMNA
Hydrochloric Acid SCHEMBL4589727 0.86 TSHR (0.54) TSHRSMN1; SMN2HTTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023224963-A1 DUAL-ACTING ANGIOTENSIN AND ENDOTHELIN RECEPTOR ANTAGONISTS ARIA PHARMACEUTICALS, INC. (US) 2023-11-23 WO disclosed
WO-2023224963-A1 DUAL-ACTING ANGIOTENSIN AND ENDOTHELIN RECEPTOR ANTAGONISTS ARIA PHARMACEUTICALS, INC. (US) 2023-11-23 WO disclosed
US-6372800-B1 IMMUNOSUPPRESSIVE EFFECT AND IS USEFUL AS AN INHIBITOR FOR THE REJECTION REACTION OCCURRING IN ORGAN OR BONE MARROW TRANSPLANTATION, AND AS A PREVENTIVE OR REMEDY FOR ARTICULAR RHEUMATISM, ATOPIC ECZEMA (DERMATITIS), BEHCET'S DISEASE, MITSUBISHI PHARMA CORPORATION (JP) 2002-04-16 US disclosed
US-6187821-B1 SUCH AS 2-AMINO-2-(3-(4-HEPTYLPHENYL)PROPYL)BUTANE-1,4-DIOL; IMMUNOSUPPRESSANT; ADMINISTERING TO TREAT OR PREVENT AUTOIMMUNE DISEASES AND ALLERGIES WELFIDE CORPORATION (JP) 2001-02-13 US disclosed
US-5948820-A IMMUNOSUPPRESSANT; PREVENT REJECTION OF ORGAN TRANSPLANT;AUTOIMMUNE DISEASES; MULTIPLE SCLEROSIS; LUPUS; ANTIALLERGENS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-07 US disclosed