SCHEMBL9632889

SCHEMBL9632889

CC[C@](C)(C(=O)O)c1ccc(OC(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
ALOX15 P16050 1/20 0.45
GFER P55789 1/20 0.45
ADAM17 P78536 1/20 0.45
HTT P42858 1/20 0.44
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL9632901 1.00 ATM (0.47) ATMALOX15GFERADAM17HTT
SCHEMBL10541395 0.81 ATM (0.47) ATMALOX15GFERADAM17HTT
SCHEMBL11117316 0.80 ALDH1A1 (0.50) ALOX15L3MBTL1PPARALMNAALDH1A1
SCHEMBL10836381 0.80 ALOX15 (0.50) ATMALOX15GFERADAM17HTT
SCHEMBL1821731 0.77 CXCR2 (0.44) PPARAPOLBALDH1A1SMN1; SMN2MEN1
SCHEMBL24534819 0.77 ATM (0.56) ATMALOX15GFERADAM17HTT
SCHEMBL18746248 0.76 NPC1 (0.53) ALOX15GFERADAM17HTTTP53
SCHEMBL5794046 0.76 KDM4E (0.44) HTTHDAC3HDAC1HDAC2L3MBTL1
SCHEMBL9449249 0.76 ATM (0.51) ATMALOX15GFERADAM17HTT
SCHEMBL10969483 0.76 ALOX15 (0.46) ATMALOX15GFERADAM17HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5093358-A MACROCYCLIC PLANT ACARICIDES CIBA-GEIGY CORP. (US) 1992-03-03 US disclosed