SCHEMBL9302331

SCHEMBL9302331

COC(=O)C=C(C)N[C@H](C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
TSHR P16473 3/20 0.44
FPR2 P25090 1/20 0.42
KMT2A Q03164 1/20 0.42
NAALAD2 Q9Y3Q0 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LTA4H P09960 1/20 0.40
ANPEP P15144 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL10852869 1.00 ATM (0.46) ATMTSHRFPR2KMT2ANAALAD2
SCHEMBL8680647 1.00 ATM (0.46) ATMTSHRFPR2KMT2ANAALAD2
SCHEMBL29008112 0.98 ATM (0.45) ATMTSHRFPR2KMT2ANAALAD2
SCHEMBL5904162 0.88 FOLH1 (0.47) ATMTSHRKMT2ANAALAD2CA1
SCHEMBL8307199 0.88 TSHR (0.43) ATMTSHRKMT2ASMN1; SMN2ALDH1A1
Potassium Ion SCHEMBL4825140 0.88 TSHR (0.43) ATMTSHRKMT2ASMN1; SMN2ALDH1A1
SCHEMBL11606839 0.88 TSHR (0.43) ATMTSHRKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6129097 0.88 FOLH1 (0.47) ATMTSHRKMT2ANAALAD2CA1
SCHEMBL5995942 0.88 FOLH1 (0.47) ATMTSHRKMT2ANAALAD2CA1
SCHEMBL2896479 0.88 FOLH1 (0.47) ATMTSHRKMT2ANAALAD2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3946002-A Process for preparing cephalosporins LILLY INDUSTRIES LIMITED (EN) 1976-03-23 US claimed
EP-0437567-B1 PHENYL-GLYCINE DERIVATIVES CHINOIN GYOGYSZER ES VEGYESZET (HU) 1994-12-07 EP disclosed
EP-0437566-B1 PHENYL-GLYCINE DERIVATIVES CHINOIN GYOGYSZER ES VEGYESZET (HU) 1994-09-28 EP disclosed
US-5338868-A Reacting glycine derivative with trifluoro methane sulfonic acid derivative at low temperature CHINOIN GYOGYSZER- ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1994-08-16 US disclosed
WO-1991001968-A1 PHENYL-GLYCINE DERIVATIVES CHINOIN GYÓGYSZER ÉS VEGYÉSZETI TERMÉKEK GYÁRA RT (HU) 1991-02-21 WO disclosed
US-3946002-A Process for preparing cephalosporins LILLY INDUSTRIES LIMITED (EN) 1976-03-23 US disclosed