SCHEMBL6161577

SCHEMBL6161577

[CH2]CC(=O)NCCCCCCC

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.67
NAAA Q02083 1/20 0.62
EPHX1 P07099 8/20 0.61
ZDHHC20 Q5W0Z9 1/20 0.57
ZDHHC2 Q9UIJ5 1/20 0.57
FAAH O00519 4/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL6162878 1.00 CASP2 (0.67) CASP2NAAAEPHX1ZDHHC20ZDHHC2
SCHEMBL6164920 1.00 CASP2 (0.67) CASP2NAAAEPHX1ZDHHC20ZDHHC2
SCHEMBL6164193 1.00 CASP2 (0.67) CASP2NAAAEPHX1ZDHHC20ZDHHC2
SCHEMBL5543478 1.00 CASP2 (0.67) CASP2NAAAEPHX1ZDHHC20ZDHHC2
SCHEMBL6163638 0.98 CASP2 (0.63) CASP2NAAAEPHX1ZDHHC20ZDHHC2
SCHEMBL351990 0.91
SCHEMBL14370358 0.84 CASP2 (0.75) CASP2NAAAEPHX1ZDHHC20ZDHHC2
SCHEMBL14890990 0.84 CASP2 (0.75) CASP2NAAAEPHX1ZDHHC20ZDHHC2
SCHEMBL9548566 0.84 CASP2 (0.75) CASP2NAAAEPHX1ZDHHC20ZDHHC2
SCHEMBL11923736 0.84 CASP2 (0.75) CASP2NAAAEPHX1ZDHHC20ZDHHC2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5334716-A Preventing testosteron 5a-reductase mediated diseases; alopecia, acne, prostatism FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-08-02 US claimed
EP-1055712-B1 Aqueous ink for ink jet recording MITSUI CHEMICALS INC (JP) 2005-02-16 EP disclosed
EP-1055712-A2 Aqueous ink for ink jet recording Mitsui Chemicals, Inc. (JP) 2000-11-29 EP disclosed
EP-0519353-B1 Indolizin derivatives, process for their preparation and pharmaceutical composition containing them FUJISAWA PHARMACEUTICAL CO (JP) 2000-08-16 EP disclosed
EP-0717742-B1 PROCESS FOR THE PREPARATION OF INDOLIZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 1998-11-11 EP disclosed
US-5780633-A Process for the preparation of indolizine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-07-14 US disclosed
EP-0717742-A1 PROCESS FOR THE PREPARATION OF INDOLIZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-06-26 EP disclosed
WO-1995007279-A2 PROCESS FOR THE PREPARATION OF INDOLIZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-16 WO disclosed
US-5334716-A Preventing testosteron 5a-reductase mediated diseases; alopecia, acne, prostatism FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-08-02 US disclosed