SCHEMBL8026178

SCHEMBL8026178

COc1ccc2cc([C@@]3(C(=O)O)CCCN3)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.42
AKR1C3 P42330 5/20 0.40
AKR1C2 P52895 5/20 0.40
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
CYP1A2 P05177 2/20 0.40
CDC42 P60953 1/20 0.40
RAC1 P63000 1/20 0.40
TSHR P16473 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NQO2 P16083 1/20 0.38
PTGER2 P43116 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
LTB4R Q15722 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
SCHEMBL8469123 1.00 KDM4E (0.43) KDM4ELMNAAKR1C3AKR1C2PTGS1
SCHEMBL15664683 0.88 TET3 (0.42) KDM4EALDH1A1CYP2C19MAPK1
SCHEMBL11019253 0.81 LMNA (0.38) LMNA
SCHEMBL15546631 0.76 KDM4E (0.51) KDM4ELMNAAKR1C3AKR1C2PTGS1
SCHEMBL8589035 0.75 KMT2A (0.52) KDM4ELMNAAKR1C3AKR1C2PTGS1
SCHEMBL15664899 0.72 DRD2 (0.43) TSHRALDH1A1
SCHEMBL10483428 0.72 ESR2 (0.41) CYP2C19AKR1C1
SCHEMBL10448280 0.72 ADAM17 (0.44) AKR1C3PTGS1ALDH1A1HPGDMAPK1
SCHEMBL994596 0.72 AKR1C1 (0.48) LMNAALDH1A1AKR1C1
SCHEMBL10659448 0.72 AKR1C1 (0.48) LMNAALDH1A1AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0035641-B1 CYSTEIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM ALFA FARMACEUTICI S.p.A. (IT) 1984-04-25 EP claimed
EP-0089711-A2 Process for preparing esters of 2-(6'-methoxy-2'-naphthyl)-propionic acid BLASCHIM S.p.A. (IT) 1983-09-28 EP claimed
EP-0022529-B1 PROCESS FOR THE RESOLUTION OF D,L 2-(6-METHOXY-2-NAPHTHYL)PROPIONIC ACID; A MIXTURE OF THE SALTS OF THESE D AND L ACIDS; A PHARMACEUTICAL COMPOSITION CONTAINING A SALT OF THE D ACID; A SALT OF THE D ACID SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1983-06-29 EP claimed
EP-0035641-A2 Cystein derivatives, process for their preparation and medicines containing them ALFA FARMACEUTICI S.p.A. (IT) 1981-09-16 EP claimed
EP-0973714-A2 PRODUCTION OF RACEMIC 2-(6-METHOXY-2-NAPHTHYL)PROPIONIC ACID OR PRECURSORS THEREOF ALBEMARLE CORPORATION (US) 2000-01-26 EP disclosed
WO-1998030528-A2 PRODUCTION OF RACEMIC 2-(6-METHOXY-2-NAPHTHYL)PROPIONIC ACID OR PRECURSORS THEREOF ALBEMARLE CORPORATION (US) 1998-07-16 WO disclosed
EP-0035641-A2 Cystein derivatives, process for their preparation and medicines containing them ALFA FARMACEUTICI S.p.A. (IT) 1981-09-16 EP disclosed