SCHEMBL9618909

SCHEMBL9618909

NC(Cc1ccccc1)(C(=O)O)C(=O)C(CC(=O)O)NC=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
HIF1A Q16665 1/20 0.54
TSHR P16473 1/20 0.43
EPHX1 P07099 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 10/20 0.36
MME P08473 1/20 0.35
CPA1 P15085 2/20 0.35
CPB1 P15086 1/20 0.35
CPA3 P15088 1/20 0.35
CPB2 Q96IY4 1/20 0.35
ARG1 P05089 1/20 0.34
ARG2 P78540 1/20 0.34

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
SCHEMBL5658804 0.77 SMN1; SMN2 (0.64) SMN1; SMN2HIF1ATAAR1CPA1CPB1
SCHEMBL3151239 0.73 SMN1; SMN2 (1.00) SMN1; SMN2HIF1ATSHRTAAR1ARG1
SCHEMBL27431678 0.71 SMN1; SMN2 (0.62) SMN1; SMN2HIF1AMEN1KMT2ATAAR1
SCHEMBL8645341 0.70 SMN1; SMN2 (0.47) SMN1; SMN2HIF1AGAAMAPTCASP1
SCHEMBL19932059 0.68 FCER2 (0.51) EPHX1MME
SCHEMBL7032947 0.68 SMN1; SMN2 (0.40) SMN1; SMN2HIF1ATSHRCPA1CPB1
Formic Acid SCHEMBL27369185 0.68 SMN1; SMN2 (0.62) SMN1; SMN2HIF1ATSHRMEN1KMT2A
SCHEMBL2880995 0.68 MME (0.58) MMECPA1
SCHEMBL11020715 0.68 SMN1; SMN2 (0.49) SMN1; SMN2HIF1ATSHRTAAR1
SCHEMBL7165248 0.68 MME (0.58) MMECPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186378-B1 PROCESS FOR THE PREPARATION OF N-FORMYL-ALPHA-ASPARTYL PHENYLALANINE MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-01-15 EP claimed
US-4745210-A AMIDATION OF PHENYLALANINE WITH ANHYDRIDE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-05-17 US claimed
EP-0186378-A2 Process for the preparation of N-formyl-alpha-aspartyl phenylalanine MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-07-02 EP claimed
EP-0186378-B1 PROCESS FOR THE PREPARATION OF N-FORMYL-ALPHA-ASPARTYL PHENYLALANINE MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-01-15 EP disclosed
EP-0186378-B1 PROCESS FOR THE PREPARATION OF N-FORMYL-ALPHA-ASPARTYL PHENYLALANINE MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-01-15 EP disclosed
US-4745210-A AMIDATION OF PHENYLALANINE WITH ANHYDRIDE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-05-17 US disclosed
US-4745210-A AMIDATION OF PHENYLALANINE WITH ANHYDRIDE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-05-17 US disclosed
US-4745210-A AMIDATION OF PHENYLALANINE WITH ANHYDRIDE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-05-17 US disclosed
EP-0186378-A2 Process for the preparation of N-formyl-alpha-aspartyl phenylalanine MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-07-02 EP disclosed
EP-0186378-A2 Process for the preparation of N-formyl-alpha-aspartyl phenylalanine MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-07-02 EP disclosed
EP-0186378-A2 Process for the preparation of N-formyl-alpha-aspartyl phenylalanine MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-07-02 EP disclosed