SCHEMBL5597679

SCHEMBL5597679

NC(=O)[C@H](Cc1ccccc1)NCO

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.51
HPGDS O60760 3/20 0.48
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
ELANE P08246 1/20 0.47
FCER2 P06734 3/20 0.46
MMP1 P03956 1/20 0.46
CYP1A2 P05177 1/20 0.46
CTSL P07711 1/20 0.45
MME P08473 1/20 0.45

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
SCHEMBL5597677 1.00 EPHX1 (0.51) EPHX1HPGDSALPIPKMPTGS1
SCHEMBL17078155 0.86 CYP3A4 (0.50) EPHX1HPGDSALPIPKMPTGS1
SCHEMBL9706212 0.86 EPHX1 (0.51) EPHX1HPGDSALPIPKMPTGS1
SCHEMBL8843830 0.86 EPHX1 (0.51) EPHX1HPGDSALPIPKMPTGS1
SCHEMBL23925862 0.85 MME (0.56) CYP1A2MME
SCHEMBL1921156 0.85 MME (0.56) CYP1A2MME
SCHEMBL1921155 0.85 MME (0.56) CYP1A2MME
SCHEMBL11254313 0.84 EPHX1 (0.50) EPHX1HPGDSALPIPKMPTGS1
SCHEMBL989835 0.84 SIGMAR1 (0.53) EPHX1HPGDSALPIPKMPTGS1
SCHEMBL4672507 0.84 SIGMAR1 (0.53) EPHX1HPGDSALPIPKMPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1441724-B8 METHODS OF INCREASING ENDOGENOUS TESTOSTERONE LEVELS SERONO LAB (CH) 2007-10-17 EP claimed
JP-2005504093-A 2005-02-10 JP claimed
EP-1441724-A1 METHODS OF INCREASING ENDOGENOUS TESTOSTERONE LEVELS Applied Research Systems ARS Holding S.A. (AN) 2004-08-04 EP claimed
WO-2003026649-A1 METHODS OF INCREASING ENDOGENOUS TESTOSTERONE LEVELS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-04-03 WO claimed
EP-1282418-A2 USE OF PYRAZOLE DERIVATIVES FOR TREATING INFERTILITY Serono Reproductive Biology Institute, Inc. (US) 2003-02-12 EP claimed
WO-2001087287-A2 USE OF PYRAZOLE DERIVATIVES FOR TREATING INFERTILITY APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-11-22 WO claimed
EP-1441724-B8 METHODS OF INCREASING ENDOGENOUS TESTOSTERONE LEVELS SERONO LAB (CH) 2007-10-17 EP disclosed
EP-1441724-A1 METHODS OF INCREASING ENDOGENOUS TESTOSTERONE LEVELS Applied Research Systems ARS Holding S.A. (AN) 2004-08-04 EP disclosed
WO-2003026649-A1 METHODS OF INCREASING ENDOGENOUS TESTOSTERONE LEVELS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-04-03 WO disclosed
EP-1282418-A2 USE OF PYRAZOLE DERIVATIVES FOR TREATING INFERTILITY Serono Reproductive Biology Institute, Inc. (US) 2003-02-12 EP disclosed
WO-2001087287-A2 USE OF PYRAZOLE DERIVATIVES FOR TREATING INFERTILITY APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-11-22 WO disclosed