SCHEMBL9152047

SCHEMBL9152047

CCO[C@H](c1cc(C)cs1)[C@H](CO)NC(C)=O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.32
PIK3CG P48736 1/20 0.31
LMNA P02545 2/20 0.31
DAO P14920 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL9151611 1.00 TACR1 (0.32) TACR1PIK3CGLMNADAOTP53
SCHEMBL9152416 0.87 TACR1 (0.35) TACR1DAO
SCHEMBL9405607 0.82 SMN1; SMN2 (0.35) TACR1PIK3CGLMNADAOMAPT
SCHEMBL9287694 0.81 LMNA (0.34) PIK3CGLMNACYP1A2CYP2C9CYP2C19
SCHEMBL8370027 0.80 LMNA (0.35) TACR1LMNADAOTP53CYP1A2
SCHEMBL9151978 0.80 LMNA (0.35) TACR1LMNADAOTP53CYP1A2
SCHEMBL9151070 0.75
SCHEMBL8589514 0.70 TACR1 (0.34) TACR1DAOMAPK1
SCHEMBL8589511 0.70 TACR1 (0.34) TACR1DAOMAPK1
SCHEMBL8954422 0.70 DAO (0.39) LMNADAOCYP2C19

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