SCHEMBL9114959

SCHEMBL9114959

COC(=O)c1ccccc1SC1CCCCO1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 6/20 0.46
HPGD P15428 6/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSD17B10 Q99714 6/20 0.45
NPSR1 Q6W5P4 2/20 0.45
POLB P06746 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
ALOX15 P16050 2/20 0.42
SLC6A3 Q01959 2/20 0.42
CRBN Q96SW2 1/20 0.42
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.40
TP53 P04637 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
SCHEMBL1018224 0.80 ALDH1A1 (0.51) KDM4ESMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL2543692 0.77 HSD17B10 (0.51) KDM4ESMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL13726907 0.73 SLC6A3 (0.35) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL6930511 0.71 HSD17B10 (0.32) ALDH1A1HSD17B10POLBMAPT
SCHEMBL7864562 0.71 KDM4E (0.53) KDM4ESMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL8741664 0.71 KDM4E (0.53) KDM4ESMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL7864560 0.71 KDM4E (0.53) KDM4ESMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL7864561 0.71 KDM4E (0.53) KDM4ESMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL9115736 0.71 APOBEC3G (0.44) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL31618549 0.70 KDM4E (0.56) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10

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-1995011226-A1 SUBSTITUTED BENZENE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND BIOCIDAL COMPOSITION FOR CONTROL OF HARMFUL ORGANISMS CONTAINING THEM ISHIHARA SANGYO KAISHA LTD. (JP) 1995-04-27 WO disclosed