SCHEMBL11266040

SCHEMBL11266040

COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
RAB9A P51151 1/20 0.58
LNPEP Q9UIQ6 6/20 0.57
ERAP2 Q6P179 4/20 0.54
ERAP1 Q9NZ08 3/20 0.54
TSHR P16473 1/20 0.54
ALDH1A1 P00352 3/20 0.52
TACR1 P25103 1/20 0.52
LMNA P02545 1/20 0.52
GLA P06280 1/20 0.52
MDM4 O15151 1/20 0.52
MDM2 Q00987 1/20 0.52
ACE P12821 1/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CTSL P07711 2/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
ALOX15 P16050 1/20 0.50
CTSB P07858 1/20 0.49

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
SCHEMBL3011111 0.88 RAB9A (0.67) GAARAB9ALNPEPALDH1A1LMNA
SCHEMBL3011109 0.88 RAB9A (0.67) GAARAB9ALNPEPALDH1A1LMNA
SCHEMBL13885677 0.88 GAA (0.73) GAARAB9ALNPEPERAP2ERAP1
SCHEMBL4364268 0.85 TSHR (0.58) GAARAB9ALNPEPERAP2ERAP1
SCHEMBL4362313 0.85 TSHR (0.58) GAARAB9ALNPEPERAP2ERAP1
SCHEMBL3928164 0.85 LNPEP (0.67) GAARAB9ALNPEPERAP2ERAP1
SCHEMBL3928165 0.85 LNPEP (0.67) GAARAB9ALNPEPERAP2ERAP1
SCHEMBL6030105 0.84 GAA (0.68) GAARAB9ALNPEPERAP2ERAP1
SCHEMBL2402461 0.84 ALDH1A1 (0.67) TSHRALDH1A1TACR1MDM4MDM2
SCHEMBL7294741 0.84 ALDH1A1 (0.67) TSHRALDH1A1TACR1MDM4MDM2

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