SCHEMBL7614673

SCHEMBL7614673

CC1(CCc2ccccc2O)COC(=O)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.39
CREBBP Q92793 1/20 0.38
DAO P14920 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
HTR1A P08908 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
S1PR1 P21453 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
HSPA5 P11021 1/20 0.33
MAOB P27338 1/20 0.33
ADRB1 P08588 1/20 0.33
MPO P05164 1/20 0.33
AKR1B1 P15121 1/20 0.33

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
SCHEMBL7615636 0.77 S1PR1 (0.42) FPR2DAOTAAR1CA2S1PR1
SCHEMBL7621731 0.74 S1PR1 (0.45) S1PR1MEN1KMT2AALDH1A1MAPT
SCHEMBL5166746 0.74 TAAR1 (0.39) FPR2TAAR1HRH3MEN1KMT2A
SCHEMBL384900 0.73 FPR2 (0.39) FPR2MEN1KMT2AALDH1A1MAPT
SCHEMBL4462359 0.70 S1PR1 (0.33) S1PR1IRAK4
SCHEMBL13645874 0.70 MGLL (0.39) S1PR1HTTMAOBLMNA
SCHEMBL5165572 0.69 TAAR1 (0.37) TAAR1S1PR1MEN1KMT2AALDH1A1
SCHEMBL1439232 0.68
SCHEMBL4017300 0.67
SCHEMBL14945800 0.67 FPR2 (0.55) FPR2CREBBPDAOTAAR1ALDH1A1

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
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
EP-0778263-B1 BENZENE COMPOUND AND MEDICINAL USE THEREOF WELFIDE CORP (JP) 2002-01-09 EP 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
EP-0778263-A1 BENZENE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-11 EP disclosed