SCHEMBL7614431

SCHEMBL7614431

CC(=O)NC(CCO)(CCCO)CCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
RECQL P46063 1/20 0.39
SSTR4 P31391 1/20 0.39
THRB P10828 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL15958710 0.83 ALDH1A1 (0.46) ALDH1A1POLBNPC1MAPTRAB9A
SCHEMBL8495637 0.81 POLB (0.45) ALDH1A1POLBNPC1MAPTRAB9A
SCHEMBL7616855 0.79 ALDH1A1 (0.42) ALDH1A1NPC1MAPTRAB9ARECQL
SCHEMBL16202271 0.78 LMNA (0.46) ALDH1A1POLBNPC1MAPTRAB9A
SCHEMBL4406979 0.78 ALDH1A1 (0.38) ALDH1A1POLBNPC1MAPTRAB9A
SCHEMBL7713882 0.77 ALDH1A1 (0.46) ALDH1A1NPC1MAPTRAB9ARECQL
SCHEMBL16202279 0.77 LMNA (0.45) ALDH1A1NPC1MAPTRAB9ARECQL
SCHEMBL16202273 0.77 LMNA (0.47) ALDH1A1NPC1MAPTRAB9ARECQL
SCHEMBL7713885 0.76 TDP1 (0.42) ALDH1A1RECQLTHRBTAAR1TDP1
SCHEMBL5035826 0.75 ALDH1A1 (0.47) ALDH1A1POLBNPC1MAPTRAB9A

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