SCHEMBL4592607

SCHEMBL4592607

O=C(O)OOc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.44
F2 P00734 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 2/20 0.41
LTA4H P09960 1/20 0.41
SRC P12931 2/20 0.41
ATM Q13315 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
PARP10 Q53GL7 1/20 0.40
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SRD5A2 P31213 1/20 0.39
PKM P14618 1/20 0.39
AKR1C3 P42330 1/20 0.39
CYP2D6 P10635 1/20 0.39
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
DAO P14920 1/20 0.38
NAPRT Q6XQN6 1/20 0.38

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
Phenol SCHEMBL6919884 0.91 TDP1 (0.48) ALOX15F2LMNALTA4HSRC
SCHEMBL27481113 0.85 ALOX15 (0.41) ALOX15F2LMNATSHRLTA4H
SCHEMBL8731765 0.84 ALOX15 (0.44) ALOX15F2LMNATSHRLTA4H
SCHEMBL4466865 0.82 ALOX15 (0.43) ALOX15F2LMNATSHRLTA4H
Benzene SCHEMBL9407301 0.80 ELANE (0.45) ALOX15F2LMNATSHRATM
SCHEMBL4010662 0.80 ALDH1A1 (0.43) ALOX15F2LMNATSHRLTA4H
SCHEMBL247575 0.80 ELANE (0.45) ALOX15F2LMNATSHRATM
SCHEMBL3590916 0.80 PARP10 (0.47) ALOX15F2LMNATSHRLTA4H
SCHEMBL19579909 0.79 F2 (0.44) ALOX15F2LMNATSHRL3MBTL1
Diphenylether SCHEMBL28369889 0.79 LTA4H (0.63) TSHRLTA4HPARP10HPGDSRD5A2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726707-A1 ROOTING INHIBITORS BAYER AG (DE) 1996-08-21 EP claimed
WO-1995012312-A1 ROOTING INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1995-05-11 WO claimed
EP-0281103-B1 PHENOXYCARBOXYLIC ACID COMPOUNDS AND HERBICIDE COMPRISING IT AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1993-06-23 EP claimed
EP-0360181-A2 Salts of herbicidal acids with long-chain nitrogen bases HOECHST AKTIENGESELLSCHAFT (DE) 1990-03-28 EP claimed
EP-0036218-B1 SALTS OF THE 3-HYDROXY QUINUCLIDINE ESTERS OF A PHENOXYCARBOXYLIC ACID, A PROCESS FOR THE PREPARATION THEREOF, AND RELATED PHARMACEUTICAL COMPOSITIONS D and D S.r.l. (IT) 1985-07-31 EP claimed
EP-1893016-B1 WATER-IN-OIL SUSPOEMULSIONS BAYER IP GMBH (DE) 2017-09-13 EP disclosed
EP-1893016-A2 WATER-IN-OIL SUSPOEMULSIONS Bayer CropScience AG (DE) 2008-03-05 EP disclosed
US-7288542-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2007-10-30 US disclosed
EP-1802195-A1 SURFACTANT/SOLVENT MIXTURES Bayer CropScience GmbH (DE) 2007-07-04 EP disclosed
EP-1730120-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-12-13 EP disclosed
WO-2006114186-A2 WATER-IN-OIL SUSPOEMULSIONS BAYER CROPSCIENCE AG (DE) 2006-11-02 WO disclosed
EP-1667519-A1 SURFACTANT/SOLVENT MIXTURES Bayer CropScience GmbH (DE) 2006-06-14 EP disclosed
WO-2005090317-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2005-09-29 WO disclosed
WO-2005036962-A1 SURFACTANT/SOLVENT MIXTURES BAYER CROPSCIENCE GMBH (DE) 2005-04-28 WO disclosed
EP-0726707-A1 ROOTING INHIBITORS BAYER AG (DE) 1996-08-21 EP disclosed
WO-1995012312-A1 ROOTING INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1995-05-11 WO disclosed
EP-0239907-B1 PHENOXYALKANECARBOXYLIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1991-09-18 EP disclosed
EP-0400639-A2 System for enriching a probe substance for spectroscopic applications in flow-injection analysis BODENSEEWERK PERKIN-ELMER GMBH (DE) 1990-12-05 EP disclosed
EP-0239907-A1 Phenoxyalkanecarboxylic-acid derivatives, process for their preparation and medicines containing these compounds Roche Diagnostics GmbH (DE) 1987-10-07 EP disclosed
EP-0010692-B1 N-M-ANILIDOURETHANES, HERBICIDES CONTAINING THEM AND PROCESS FOR THEIR PREPARATION, AND METHOD OF CONTROLLING UNDESIRABLE VEGETATION BASF Aktiengesellschaft (DE) 1982-06-23 EP disclosed