SCHEMBL7981403

SCHEMBL7981403

COC=C(C(=O)O)c1ccccc1C(=NOCCCc1ccccn1)OCC1CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.37
F2 P00734 2/20 0.36
TBXA2R P21731 2/20 0.34
NAAA Q02083 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPK1 P28482 1/20 0.34
PTGIR P43119 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR7 P34969 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
KDM4E B2RXH2 4/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31

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
SCHEMBL7751862 1.00 FKBP1A (0.37) FKBP1AF2TBXA2RNAAAALDH1A1
SCHEMBL7992202 0.95 CHRM5 (0.35) FKBP1AF2TBXA2RNAAAALDH1A1
SCHEMBL7753089 0.95 CHRM5 (0.35) FKBP1AF2TBXA2RNAAAALDH1A1
SCHEMBL7753085 0.95 CHRM5 (0.35) FKBP1AF2TBXA2RNAAAALDH1A1
SCHEMBL1768031 0.92 FKBP1A (0.37) FKBP1AF2TBXA2RNAAAALDH1A1
SCHEMBL7747858 0.89 PTGIR (0.36) ALDH1A1MAPK1PTGIRSMN1; SMN2KDM4E
SCHEMBL7993488 0.86 CYP1A2 (0.35) FKBP1ATBXA2RNAAAALDH1A1SMN1; SMN2
SCHEMBL7995298 0.86 CYP1A2 (0.35) FKBP1ATBXA2RNAAAALDH1A1SMN1; SMN2
SCHEMBL2356991 0.85 FKBP1A (0.35) FKBP1AF2TBXA2RNAAAALDH1A1
SCHEMBL4623306 0.78 PTGIR (0.34) ALDH1A1PTGIRSMN1; SMN2CYP1A2

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
WO-2001023355-A1 NOVEL OPTICALLY ACTIVE FUNGICIDE COMPOUNDS COMPRISING A HYDROXIMIC OR HYDRAZONIC FUNCTION AVENTIS CROPSCIENCE SA (FR) 2001-04-05 WO disclosed