SCHEMBL7712092

SCHEMBL7712092

CCOC(=O)C(C)(CCc1ccccc1)NC(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
RECQL P46063 1/20 0.49
MMP8 P22894 1/20 0.49
TAAR1 Q96RJ0 2/20 0.47
THRB P10828 1/20 0.47
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
LMNA P02545 1/20 0.42
PIN1 Q13526 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL7614376 0.93 MMP8 (0.49) ALDH1A1RECQLMMP8TAAR1THRB
SCHEMBL7708006 0.91 RECQL (0.46) ALDH1A1RECQLMMP8TAAR1THRB
SCHEMBL7622547 0.91 ALDH1A1 (0.42) ALDH1A1RECQLMMP8TAAR1THRB
SCHEMBL7617244 0.90 NPC1 (0.50) ALDH1A1LMNASMN1; SMN2KDM4EMAPT
SCHEMBL7614623 0.88 FFAR1 (0.49) PPARGPPARA
SCHEMBL590047 0.87 LMNA (0.41) ALDH1A1RECQLMMP8TAAR1THRB
SCHEMBL7707990 0.85 CYP2D6 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9APPARG
SCHEMBL7614515 0.85 MMP8 (0.46) ALDH1A1RECQLMMP8TAAR1THRB
SCHEMBL7621207 0.84 HTR1A (0.44) ALDH1A1RECQLMMP8SMN1; SMN2KDM4E
SCHEMBL7619721 0.83 PPARA (0.42) ALDH1A1RECQLMMP8TAAR1THRB

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 4 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
EP-0778263-A1 BENZENE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-11 EP disclosed