SCHEMBL7751905

SCHEMBL7751905

C/C=C(/C(=O)O)c1ccccc1CO/C(=N/OCc1c(C)noc1C)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
TSHR P16473 5/20 0.42
L3MBTL1 Q9Y468 5/20 0.41
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
AKR1C3 P42330 4/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 1/20 0.38
CRHBP P24387 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
CRHR2 Q13324 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7751848 0.79 ALDH1A1 (0.43) ALDH1A1TSHRL3MBTL1KMT2ANPSR1
SCHEMBL7747848 0.72 ALDH1A1 (0.41) ALDH1A1TSHRL3MBTL1KMT2ANPSR1
SCHEMBL7752172 0.68 ALDH1A1 (0.44) ALDH1A1TSHRL3MBTL1KMT2ANPSR1
SCHEMBL7972305 0.64 ALDH1A1 (0.32) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9021457 0.63 HDAC3 (0.40) ALDH1A1TSHRKMT2AKDM4ELMNA
SCHEMBL9021460 0.63 HDAC3 (0.40) ALDH1A1TSHRKMT2AKDM4ELMNA
SCHEMBL28582938 0.61 AKR1C3 (0.74) ALDH1A1TSHRKMT2AAKR1C3HTT
SCHEMBL9333361 0.61 KMT2A (0.58) ALDH1A1TSHRL3MBTL1KMT2ANPSR1
SCHEMBL9333346 0.61 KMT2A (0.58) ALDH1A1TSHRL3MBTL1KMT2ANPSR1
SCHEMBL2495748 0.60 ALDH1A1 (0.34) ALDH1A1KMT2AMAPTTDP1CRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070052-A1 FUNGICIDE COMPOSITIONS COMPRISING A HYDROXIMIC OR HYDRAZONIC GROUP AVENTIS CROPSCIENCE S.A. (FR) 2001-01-24 EP disclosed
WO-1999051579-A1 FUNGICIDE COMPOSITIONS COMPRISING A HYDROXIMIC OR HYDRAZONIC GROUP AVENTIS CROPSCIENCE S.A. (FR) 1999-10-14 WO disclosed