SCHEMBL8209874

SCHEMBL8209874

C[C@H](C(=O)O)[C@H](O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
KDM4E B2RXH2 3/20 0.56
ADRA2C P18825 2/20 0.56
ADRA2A P08913 1/20 0.56
HIF1A Q16665 1/20 0.56
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 3/20 0.54
CYP2D6 P10635 2/20 0.52
CHRM2 P08172 1/20 0.52
ADRA1A P35348 1/20 0.52
RGS12 O14924 1/20 0.52
GLA P06280 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
PKM P14618 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
ALOX12 P18054 1/20 0.52
NFKB1 P19838 1/20 0.52
HTR2A P28223 1/20 0.52

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
SCHEMBL12265956 1.00 LMNA (0.56) LMNAKDM4EADRA2CADRA2AHIF1A
SCHEMBL12313665 1.00 LMNA (0.56) LMNAKDM4EADRA2CADRA2AHIF1A
SCHEMBL17702817 1.00 LMNA (0.56) LMNAKDM4EADRA2CADRA2AHIF1A
SCHEMBL8001842 1.00 LMNA (0.56) LMNAKDM4EADRA2CADRA2AHIF1A
SCHEMBL8001841 1.00 LMNA (0.56) LMNAKDM4EADRA2CADRA2AHIF1A
SCHEMBL28229063 0.86 LMNA (0.56) LMNAKDM4EADRA2CADRA2AHIF1A
SCHEMBL4443964 0.84 LMNA (0.54) LMNAKDM4EADRA2CADRA2AHIF1A
SCHEMBL25896593 0.84 LMNA (0.54) LMNAKDM4EADRA2CADRA2AHIF1A
SCHEMBL25896588 0.84 LMNA (0.54) LMNAKDM4EADRA2CADRA2AHIF1A
SCHEMBL17758744 0.84 LMNA (0.54) LMNAKDM4EADRA2CADRA2AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6093812-A LACTAMIZATION OF A 2-HYDROXYALKYLAMIDE IN AQUEOUS SOLUTION BY TREATMENT WITH A POLYCHLOROBENZOYL CHLORIDE, BASE AND PHASE TRANSFER AGENT SCHERING CORPORATION (US) 2000-07-25 US disclosed
US-5561227-A CHLORINATION A CARBOXYLIC ACID; DEPROTONATION A CHIRAL (OXA OR THIA)ZOLIDINONE; ENOLIZING; CYCLIZATION SCHERING CORPORATION (US) 1996-10-01 US disclosed
US-5306817-A Multistep; cyclizing a hydroxyamide by treating with a dialkylchlorophosphate either a metal hydride, or an aqueous solution of base and a phase transfer catalyst SCHERING CORPORATION (US) 1994-04-26 US disclosed
US-5132457-A Stereospecific synthesis of 2(R)-2-methyl-3-dimethylamino-propiophenone (d-DAMP) MALLINCKRODT SPECIALTY CHEMICALS COMPANY (US) 1992-07-21 US disclosed