SCHEMBL11058766

SCHEMBL11058766

Cc1ccc(NC(C(=O)O)C(C)C)cc1F

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 3/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 3/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
FPR2 P25090 2/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
XDH P47989 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
SMN1; SMN2 Q16637 1/20 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
SCHEMBL11203097 1.00 KMT2A (0.49) KMT2ANPC1RAB9AALDH1A1AKR1C3
SCHEMBL11203103 0.88 KDM4E (0.40) KMT2ANPC1RAB9AALDH1A1MAPT
SCHEMBL11203101 0.88 KDM4E (0.40) KMT2ANPC1RAB9AALDH1A1MAPT
SCHEMBL11055350 0.86 KMT2A (0.44) KMT2ANPC1RAB9AALDH1A1MAPT
SCHEMBL11203444 0.85 POLB (0.47) KMT2ANPC1RAB9AALDH1A1MAPT
SCHEMBL11203447 0.85 POLB (0.47) KMT2ANPC1RAB9AALDH1A1MAPT
SCHEMBL4260780 0.84 KMT2A (0.51) KMT2ANPC1RAB9AALDH1A1AKR1C3
SCHEMBL7712688 0.84 KMT2A (0.51) KMT2ANPC1RAB9AALDH1A1AKR1C3
SCHEMBL11200354 0.83 IDO1 (0.41) MAPTLMNAFPR2KDM4E
SCHEMBL11200361 0.83 IDO1 (0.41) MAPTLMNAFPR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4411912-A Insecticidal isovaleric acid esters ZOECON CORPORATION (US) 1983-10-25 US claimed
US-4464307-A Substituted acid chloride process ZOECON CORPORATION (US) 1984-08-07 US disclosed
US-4411912-A Insecticidal isovaleric acid esters ZOECON CORPORATION (US) 1983-10-25 US disclosed
US-4252724-A Novel compositions ZOECON CORPORATION (US) 1981-02-24 US disclosed
US-4243819-A Substituted amino acids ZOECON CORPORATION (US) 1981-01-06 US disclosed
US-4231953-A Fluoro substituted aryl esters and thiolesters of amino acids ZOECON CORPORATION (US) 1980-11-04 US disclosed
US-4226872-A Pyridyl esters of α-substituted amino acids ZOECON CORPORATION (US) 1980-10-07 US disclosed
US-4200758-A 2,4-Imidazolidinedionylmethyl esters and thiolesters of anilino acids ZOECON CORPORATION (US) 1980-04-29 US disclosed