SCHEMBL8936061

SCHEMBL8936061

C=C(F)C(=O)N[C@@H](CCSC)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
FOLH1 Q04609 1/20 0.44
CA2 P00918 2/20 0.44
MAPK1 P28482 2/20 0.44
CA1 P00915 1/20 0.44
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TGFBR1 P36897 1/20 0.42
RNPEP Q9H4A4 1/20 0.42

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
SCHEMBL6156710 0.85 TGFBR1 (0.61) LMNAALDH1A1NPSR1FOLH1CA2
SCHEMBL6156715 0.85 TGFBR1 (0.61) LMNAALDH1A1NPSR1FOLH1CA2
SCHEMBL26090455 0.78 LMNA (0.66) LMNAALDH1A1NPSR1FOLH1CA2
SCHEMBL4326342 0.78 LMNA (0.57) LMNAALDH1A1NPSR1FOLH1CA2
SCHEMBL1298472 0.78 LMNA (0.57) LMNAALDH1A1NPSR1FOLH1CA2
SCHEMBL109682 0.77 LMNA (0.55) LMNAALDH1A1NPSR1FOLH1CA2
SCHEMBL109681 0.77 LMNA (0.55) LMNAALDH1A1NPSR1FOLH1CA2
SCHEMBL1332039 0.77 LMNA (0.55) LMNAALDH1A1NPSR1FOLH1CA2
SCHEMBL109680 0.77 LMNA (0.55) LMNAALDH1A1NPSR1FOLH1CA2
SCHEMBL28257478 0.77 LMNA (0.55) LMNAALDH1A1NPSR1FOLH1CA2

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-5510530-A WHEN POLYMERIZED GIVE OPTICALLY ACTIVE POLYMERS WHICH ARE USEFUL AS ADSORBENTS FOR CHROMATOGRAPHIC SEPARATION OF RACEMATES INTO ENANTIOMERS BAYER AKTIENGESELLSCHAFT (DE) 1996-04-23 US disclosed
US-5432251-A Acrylamide derivatives; use as polymeric adsorbent in separation of racemic mixtures into their optical antipodes BAYER AKTIENGESELLSCHAFT (DE) 1995-07-11 US disclosed
US-5432252-A Acrylamide derivatives; use as polymeric adsorbent in separation of racemic mixtures into their optical antipodes BAYER AKTIENGESELLSCHAFT (DE) 1995-07-11 US disclosed
US-5347042-A Optically active sulphur-containing amino acid derivatives, their preparation, their polymerisation to give optically active polymers and the use thereof BAYER AKTIENGESELLSCHAFT (DE) 1994-09-13 US disclosed