SCHEMBL8942388

SCHEMBL8942388

C[C@@H](CNC(N)=O)N(O)C(=O)COc1cccc(Oc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 2/20 0.54
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
ALOX5 P09917 3/20 0.48
LMNA P02545 2/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.41
PTGES O14684 1/20 0.41
FFAR1 O14842 1/20 0.40
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40

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
SCHEMBL8942794 0.82 ALOX5 (0.53) KDM4EALDH1A1HTR1DHTR1BALOX5
SCHEMBL8942292 0.78 KDM4E (0.54) KDM4EALDH1A1HTR1DHTR1BALOX5
SCHEMBL8783449 0.76 ALOX5 (0.57) ALDH1A1ALOX5LMNARAB9ASMN1; SMN2
SCHEMBL8783528 0.71 KDM4E (0.57) KDM4EALDH1A1HTR1DHTR1BALOX5
SCHEMBL8783536 0.71 KDM4E (0.57) KDM4EALDH1A1HTR1DHTR1BALOX5
SCHEMBL8942663 0.70 ALOX5 (0.46) KDM4EALDH1A1HTR1DHTR1BALOX5
SCHEMBL8942657 0.69 ALOX5 (0.56) KDM4EALDH1A1ALOX5RAB9ASMN1; SMN2
SCHEMBL8782626 0.69 KDM4E (0.61) KDM4EALDH1A1HTR1DHTR1BALOX5
SCHEMBL8942773 0.69 ALOX5 (0.61) ALDH1A1HTR1DHTR1BALOX5LMNA
SCHEMBL8782313 0.69 LMNA (0.69) KDM4EALDH1A1HTR1DHTR1BLMNA

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-5514702-A Arylamidoalkyl-N-hydroxyurea compounds having lipoxygenase inhibitory activity ABBOTT LABORATORIES (US) 1996-05-07 US disclosed