SCHEMBL7713997

SCHEMBL7713997

OC(CCOCc1ccccc1)(CCOCc1ccccc1)CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
CA1 P00915 2/20 0.41
CHRM3 P20309 4/20 0.40
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
SLC6A2 P23975 1/20 0.40
PDE4A P27815 1/20 0.40
SLC6A4 P31645 1/20 0.40
OPRM1 P35372 1/20 0.40
SLC6A3 Q01959 1/20 0.40
NAAA Q02083 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL9241304 0.84 KDM4E (0.51) TSHRKDM4EPOLBCA1CHRM3
SCHEMBL5803981 0.77 ESR1 (0.52) L3MBTL1KDM4ESLC6A2OPRM1SLC6A3
SCHEMBL7405279 0.77 KDM4E (0.45) TSHRTDP1L3MBTL1KDM4EPOLB
SCHEMBL7405277 0.77 KDM4E (0.45) TSHRTDP1L3MBTL1KDM4EPOLB
SCHEMBL1066576 0.76 TSHR (0.67) TSHRTDP1L3MBTL1CA1NAAA
SCHEMBL27363085 0.75 TSHR (0.48) TSHRTDP1L3MBTL1KDM4EPOLB
Water SCHEMBL28780406 0.74 TSHR (0.64) TSHRTDP1L3MBTL1CA1NAAA
Hydrochloric Acid SCHEMBL1409425 0.74 TSHR (0.64) TSHRTDP1L3MBTL1CA1NAAA
SCHEMBL9241218 0.74 KDM4E (0.53) TSHRKDM4EPOLBCA1CHRM3
SCHEMBL8352025 0.74 KDM4E (0.53) TSHRKDM4EPOLBCA1CHRM3

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
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