SCHEMBL10791981

SCHEMBL10791981

C[C@H](NC(=O)c1ccccc1)C(=O)Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.53
GPR139 Q6DWJ6 2/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 2/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HDAC1 Q13547 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL1692255 0.90 HDAC1 (0.47) ELANEGPR139ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9943346 0.84 GAA (0.58) GPR139ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL27535714 0.84 L3MBTL1 (0.49) ELANEALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1686722 0.84 GAA (0.58) GPR139ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2968424 0.83 MTNR1A (0.54) ELANEALDH1A1MEN1KMT2AGAA
SCHEMBL11066914 0.82 ALDH1A1 (0.49) ELANEALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8583451 0.81 MAPK1 (0.49) ELANEALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6250510 0.81 MAPK1 (0.49) ELANEALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL12849869 0.80 RAB9A (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL18285011 0.80 GAA (0.50) GPR139ALDH1A1SMN1; SMN2KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0164389-B1 PREPARATION OF PHENYL ALANINES BY HYDROGENATION OF PHENYL SERINES ALKALOIDA VEGYéSZETI GYáR (HU) 1987-04-01 EP disclosed
EP-0164389-A1 PREPARATION OF PHENYL ALANINES BY HYDROGENATION OF PHENYL SERINES. ALKALOIDA VEGYESZETI GYAR (HU) 1985-12-18 EP disclosed
WO-1985002609-A1 PREPARATION OF PHENYL ALANINES BY HYDROGENATION OF PHENYL SERINES ALKALOIDA VEGYÉSZETI GYÁR (HU) 1985-06-20 WO disclosed