SCHEMBL11267792

SCHEMBL11267792

COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1ccc(NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
GAA P10253 1/20 0.50
ROCK2 O75116 1/20 0.46
DNMT1 P26358 1/20 0.46
DNMT3A Q9Y6K1 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
POLB P06746 1/20 0.45
KDM1A O60341 1/20 0.45
RCOR1 Q9UKL0 1/20 0.45
KYNU Q16719 1/20 0.45
MAPT P10636 5/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
S1PR1 P21453 1/20 0.43
TP53 P04637 1/20 0.43
FLT1 P17948 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 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
SCHEMBL29401219 0.86 ALDH1A1 (0.54) KYNUMAPTALDH1A1TACR1
SCHEMBL11266040 0.82 GAA (0.58) RAB9AGAACA1CA2NPSR1
SCHEMBL11338769 0.81 MAPK1 (0.46) KYNUALDH1A1
SCHEMBL9551368 0.81 CTSL (0.54) ALDH1A1TACR1
SCHEMBL27343926 0.81 CTSL (0.54) ALDH1A1TACR1
SCHEMBL9551274 0.81 CTSL (0.54) ALDH1A1TACR1
SCHEMBL10583222 0.81 CTSK (0.49) KYNUALDH1A1
SCHEMBL9666956 0.81 CTSL (0.54) ALDH1A1TACR1
SCHEMBL10684888 0.81 CTSK (0.49) KYNUALDH1A1
SCHEMBL27343932 0.81 CTSL (0.54) ALDH1A1TACR1

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-4337339-A Process for preparation of folic acid derivatives BAKER INSTRUMENTS CORP. (US) 1982-06-29 US disclosed
US-4326060-A 6-FORMYLPTERIN, P-AMINOBENZOYL AMINO ACID BAKER INSTRUMENTS CORPORATION (US) 1982-04-20 US disclosed
US-4314988-A Folic acid derivatives and process for preparation BAKER INSTRUMENTS CORP. (US) 1982-02-09 US disclosed
US-4298735-A Folic acid derivatives UNION CARBIDE CORPORATION (US) 1981-11-03 US disclosed