SCHEMBL8494111

SCHEMBL8494111

C(COCC=Nc1ccccc1)=Nc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
MAOA P21397 1/20 0.36
KDM4E B2RXH2 5/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GLA P06280 1/20 0.34
KMT2A Q03164 5/20 0.33
TSHR P16473 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPT P10636 5/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
MEN1 O00255 3/20 0.32
GAA P10253 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
USP2 O75604 1/20 0.32
ALOX12 P18054 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32

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
Hydrochloric Acid SCHEMBL8488644 0.98 ALDH1A1 (0.36) ALDH1A1MAOAKDM4EL3MBTL1GLA
SCHEMBL10090559 0.85 ALDH1A1 (0.45) ALDH1A1MAOAKDM4EL3MBTL1GLA
SCHEMBL7516473 0.85 ALDH1A1 (0.45) ALDH1A1MAOAKDM4EL3MBTL1GLA
Hydrochloric Acid SCHEMBL2960053 0.82 ALDH1A1 (0.43) ALDH1A1MAOAKDM4EL3MBTL1GLA
Hydrochloric Acid SCHEMBL2960051 0.82 ALDH1A1 (0.43) ALDH1A1MAOAKDM4EL3MBTL1GLA
SCHEMBL9668477 0.77 PLG (0.35) TSHRMAPTLMNA
Hydrochloric Acid SCHEMBL9668702 0.76 HPGD (0.37) ALDH1A1KDM4EKMT2ACYP2C9MAPT
SCHEMBL637260 0.74 KDM4E (0.38) ALDH1A1MAOAKDM4EL3MBTL1GLA
SCHEMBL637259 0.74 KDM4E (0.38) ALDH1A1MAOAKDM4EL3MBTL1GLA
SCHEMBL16187277 0.74 ALDH1A1 (0.37) ALDH1A1MAOAKDM4EL3MBTL1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999046243-A1 PROCESS FOR THE ENANTIOSELECTIVE SYNTHESIS OF HYDROXYPYRROLIDINES FROM AMINO ACIDS AND PRODUCTS THEREOF TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1999-09-16 WO claimed
US-5801247-A Process for the enantioselective synthesis of hydroxypyrrolidines from amino acids and products thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1998-09-01 US claimed
WO-1999046243-A1 PROCESS FOR THE ENANTIOSELECTIVE SYNTHESIS OF HYDROXYPYRROLIDINES FROM AMINO ACIDS AND PRODUCTS THEREOF TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1999-09-16 WO disclosed
WO-1999046243-A1 PROCESS FOR THE ENANTIOSELECTIVE SYNTHESIS OF HYDROXYPYRROLIDINES FROM AMINO ACIDS AND PRODUCTS THEREOF TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1999-09-16 WO disclosed
US-5801247-A Process for the enantioselective synthesis of hydroxypyrrolidines from amino acids and products thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1998-09-01 US disclosed
US-5801247-A Process for the enantioselective synthesis of hydroxypyrrolidines from amino acids and products thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1998-09-01 US disclosed
US-4565874-A Synthesis of parabactin and homologs thereof UNIVERSITY OF FLORIDA (US) 1986-01-21 US disclosed