SCHEMBL6557889

SCHEMBL6557889

CCCCCNC(C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GPR84 Q9NQS5 3/20 0.43
FFAR1 O14842 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
MAPT P10636 1/20 0.42
CASP2 P42575 1/20 0.42
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
DPP7 Q9UHL4 1/20 0.41
NOD1 Q9Y239 1/20 0.41
AKR1B1 P15121 1/20 0.41
PLA2G2A P14555 1/20 0.41
PLA2G5 P39877 1/20 0.41

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
SCHEMBL11177014 0.98 EPHX1 (0.50) EPHX1SMN1; SMN2GPR84FFAR1FNTA
SCHEMBL7597231 0.98 EPHX1 (0.50) EPHX1SMN1; SMN2GPR84FFAR1FNTA
SCHEMBL9338351 0.90 SMN1; SMN2 (0.42) EPHX1SMN1; SMN2GPR84FFAR1FNTA
SCHEMBL28576365 0.88 EPHX1 (0.45) EPHX1SMN1; SMN2GPR84FFAR1FNTA
SCHEMBL3433811 0.86 SMN1; SMN2 (0.40) EPHX1SMN1; SMN2GPR84FFAR1FNTA
SCHEMBL1070438 0.86 EPHX1 (0.44) EPHX1SMN1; SMN2GPR84FFAR1FNTA
SCHEMBL3433807 0.86 SMN1; SMN2 (0.40) EPHX1SMN1; SMN2GPR84FFAR1FNTA
SCHEMBL9027136 0.85 EPHX1 (0.42) EPHX1SMN1; SMN2GPR84FFAR1FNTA
SCHEMBL7348111 0.83 HDAC1 (0.40) EPHX1SMN1; SMN2GPR84FFAR1MAPT
SCHEMBL9025525 0.83 EPHX1 (0.41) EPHX1SMN1; SMN2GPR84FFAR1FNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4073795-A Synthesis of tryptophans HOFFMANN-LA ROCHE INC. (US) 1978-02-14 US claimed
EP-1069109-B1 Process for production of optically active N-protected-N-methyl-phenylalanine derivative AJINOMOTO KK (JP) 2004-03-03 EP disclosed
US-6342629-B1 ENANTIOMORPHS FROM REACTION OF CYCLOHEXYLAMINE OR DICYCLOHEXYLAMINE AND ISOLATION AJINOMOTO CO., INC. (JP) 2002-01-29 US disclosed
EP-1069109-A1 Process for production of optically active N-protected-N-methyl-phenylalanine derivative Ajinomoto Co., Inc. (JP) 2001-01-17 EP disclosed
WO-2000053569-A1 METHOD FOR PREPARING 2-2[(4-ALKYLPHENYL)-ETHYL]-2-AMINO-PROPANEDIOL AND INTERMEDIATES USEFUL IN SUCH PREPARATION HANGZHOU ZHONGMEI HUADONG PHARMACEUTICAL CO. LTD. (CN) 2000-09-14 WO disclosed
US-4316847-A ARTIFICIAL SWEETENING HOFFMANN-LA ROCHE INC. (US) 1982-02-23 US disclosed
US-4256641-A ALKYL ALPHA-CARBOXAMIDOINDOLE-3-ACRYLATES MADE FROM 3-INDOLECARBOXALDEHYDES AND MONOALKYL CARBOXAMIDOMALONATES HOFFMANN-LA ROCHE INC. (US) 1981-03-17 US disclosed
US-4140697-A ARTIFICIAL SWEETENER HOFFMANN-LA ROCHE INC. (US) 1979-02-20 US disclosed
US-4073795-A Synthesis of tryptophans HOFFMANN-LA ROCHE INC. (US) 1978-02-14 US disclosed