SCHEMBL9151978

SCHEMBL9151978

CC(=O)N[C@@H](CO)[C@@H](O)c1cc(C)cs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
DAO P14920 1/20 0.34
CYP2C19 P33261 2/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
TACR1 P25103 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
MARS2 Q96GW9 1/20 0.32
GAA P10253 1/20 0.32
CTRB1 P17538 2/20 0.31
ADORA2A P29274 1/20 0.31

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
SCHEMBL8370027 1.00 LMNA (0.35) LMNATSHRDAOCYP2C19TP53
SCHEMBL8954422 0.90 DAO (0.39) LMNATSHRDAOCYP2C19SMN1; SMN2
SCHEMBL8896392 0.87 LMNA (0.48) LMNATSHRDAOCYP2C19SMN1; SMN2
SCHEMBL8370102 0.87 LMNA (0.48) LMNATSHRDAOCYP2C19SMN1; SMN2
SCHEMBL8589514 0.83 TACR1 (0.34) DAOMAPK1CTSDBACE1TACR1
SCHEMBL8589511 0.83 TACR1 (0.34) DAOMAPK1CTSDBACE1TACR1
SCHEMBL9152416 0.82 TACR1 (0.35) DAOCTSDBACE1TACR1GAA
SCHEMBL8367398 0.81 HTT (0.40) LMNAMAPTSMN1; SMN2ALDH1A1CTRB1
SCHEMBL9152047 0.80 TACR1 (0.32) LMNADAOCYP2C19TP53CYP1A2
SCHEMBL9151611 0.80 TACR1 (0.32) LMNADAOCYP2C19TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5401852-A Process for the stereochemical inversion of (2S,3S)-2-amino-3-phenyl-1,3-propanediols into their (2R,3R) enantiomers ZAMBON GROUP S.P.A. (IT) 1995-03-28 US disclosed
EP-0423705-B1 Process for the stereochemical inversion of (2S,3S)-2-amino-3-phenyl-1,3-propanediols into their (2R,3R) enantiomers ZAMBON SPA (IT) 1995-01-11 EP disclosed
US-5284966-A Intermediates for the stereochemical inversion of (2S,3S)-2-amino-3-phenyl-1,3-propanediols into their (2R,3R) enantiomers ZAMBON GROUP S.P.A. (IT) 1994-02-08 US disclosed
US-5202484-A PROCESS FOR THE STEREOCHEMICAL INVERSION OF (2S,3S)-2-AMINO-3-PHENYL-1,3-PROPANEDIOLS INTO THEIR (2R,3R) ENANTIOMERS ZAMBON GROUP S.P.A. (IT) 1993-04-13 US disclosed
EP-0423705-A2 Process for the stereochemical inversion of (2S,3S)-2-amino-3-phenyl-1,3-propanediols into their (2R,3R) enantiomers ZAMBON GROUP S.p.A. (IT) 1991-04-24 EP disclosed