SCHEMBL6896248

SCHEMBL6896248

CCC(O)CC(O)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
PGR P06401 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
HTR2A P28223 1/20 0.47
HRH1 P35367 1/20 0.47
KCNH2 Q12809 1/20 0.47
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
HSD17B10 Q99714 1/20 0.44
ALKBH5 Q6P6C2 1/20 0.43
MDM2 Q00987 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 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
SCHEMBL289556 0.84 PGR (0.53) LMNAALDH1A1PGRADRA2AADRA2B
SCHEMBL1822406 0.84 PGR (0.53) LMNAALDH1A1PGRADRA2AADRA2B
SCHEMBL4944515 0.84 PGR (0.46) LMNAALDH1A1GAAPKMPGR
SCHEMBL11801689 0.84 PGR (0.46) LMNAALDH1A1PGRADRA2AADRA2B
SCHEMBL5711600 0.84 PGR (0.50) LMNAALDH1A1PGRADRA2AADRA2B
SCHEMBL7104388 0.81 PGR (0.50) LMNAALDH1A1GAAPGRADRA2A
SCHEMBL10345706 0.81 LMNA (0.53) LMNAALDH1A1PGRADRA2AADRA2B
Benzoic Acid SCHEMBL560461 0.81 TSHR (0.56) LMNAALDH1A1GAAPKMPGR
Benzoic Acid SCHEMBL28993296 0.81 TSHR (0.56) LMNAALDH1A1GAAPKMPGR
SCHEMBL10382538 0.80 GPR84 (0.47) CES2CES1MMP2MMP9MMP12

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
EP-0149242-B1 1-(2-HYDROXYARYL)-ALCAN-1-ONE OXIME, PREPARATION AND PHARMACEUTICAL USE CHEMISCHE UND PHARMAZEUTISCHE FABRIKEN FAHLBERG-LIST GmbH (DE) 1990-10-31 EP claimed
US-6828350-B1 Inhibiting the activity of a picornavirus 3C protease or a cysteine protease with a composition having an orthohydroxy keto aryl core structure EXEGENICS INC. 2004-12-07 US disclosed
EP-1463493-A1 METHODS OF INDUCING OVULATION-USING A NON-POLYPEPTIDE CAMP LEVEL MODULATOR Applied Research Systems ARS Holding N.V. (AN) 2004-10-06 EP disclosed
WO-2003051344-A1 METHODS OF INDUCING OVULATION_USING A NON-POLYPEPTIDE CAMP LEVEL MODULATOR APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-06-26 WO disclosed
EP-1035845-A1 MODULATORS OF CYSTEINE PROTEASE Arad, Dorit (IL) 2000-09-20 EP disclosed
WO-1999030699-A1 MODULATORS OF CYSTEINE PROTEASE ARAD DORIT (IL) 1999-06-24 WO disclosed
EP-0149242-B1 1-(2-HYDROXYARYL)-ALCAN-1-ONE OXIME, PREPARATION AND PHARMACEUTICAL USE CHEMISCHE UND PHARMAZEUTISCHE FABRIKEN FAHLBERG-LIST GmbH (DE) 1990-10-31 EP disclosed
US-4816487-A ANTIALLERGENS HUMBOLDT-UNIVERSITAET ZU BERLIN (DD) 1989-03-28 US disclosed
EP-0149242-A2 1-(2-Hydroxyaryl)-alcan-1-one oxime, preparation and pharmaceutical use CHEMISCHE UND PHARMAZEUTISCHE FABRIKEN FAHLBERG-LIST GmbH (DE) 1985-07-24 EP disclosed