SCHEMBL7714540

SCHEMBL7714540

CC(=O)NC1(CCc2ccccc2)CCC2(CC1)OCCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.40
HTT P42858 4/20 0.40
TSHR P16473 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
ESR2 Q92731 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL7618070 0.81 ALDH1A1 (0.40) ALDH1A1L3MBTL1POLBTAAR1SMN1; SMN2
SCHEMBL7615583 0.80 TAAR1 (0.43) ALDH1A1L3MBTL1TAAR1MEN1KMT2A
SCHEMBL19613626 0.76 SLC6A2 (0.39) ALDH1A1POLBSMN1; SMN2KMT2AHPGD
SCHEMBL7616968 0.75 OPRM1 (0.55) ALDH1A1HTTTSHRL3MBTL1POLB
SCHEMBL11989399 0.75 ALDH1A1 (0.51) ALDH1A1HTTPOLB
SCHEMBL12346133 0.73 MEN1 (0.59) ALDH1A1L3MBTL1POLBRECQLMEN1
SCHEMBL3207664 0.73 OPRM1 (0.42) HTTL3MBTL1POLBTAAR1
SCHEMBL12346115 0.73 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ANPC1MAPK1
SCHEMBL12346120 0.73 L3MBTL1 (0.40) ALDH1A1HTTTSHRL3MBTL1POLB
SCHEMBL5880934 0.72 HTT (0.44) ALDH1A1HTTTSHRL3MBTL1POLB

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
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