SCHEMBL9808097

SCHEMBL9808097

c1ccc(OCCCCSc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.67
ALDH1A1 P00352 4/20 0.56
MAPK1 P28482 1/20 0.56
DRD2 P14416 5/20 0.55
DRD4 P21917 5/20 0.55
DRD3 P35462 3/20 0.55
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL10407909 0.87 KCNA3 (0.55) KCNA3ALDH1A1DRD2DRD4DRD3
SCHEMBL10345812 0.87 DRD2 (0.70) KCNA3ALDH1A1DRD2DRD4DRD3
SCHEMBL9808023 0.87 ALDH1A1 (0.61) KCNA3ALDH1A1MAPK1DRD2DRD4
SCHEMBL420011 0.84 ALDH1A1 (0.78) ALDH1A1MAPK1DRD2DRD4DRD3
SCHEMBL5167895 0.82 ALDH1A1 (0.74) ALDH1A1MAPK1DRD2DRD4DRD3
SCHEMBL5169003 0.82 ALDH1A1 (0.74) ALDH1A1MAPK1DRD2DRD4DRD3
SCHEMBL5281831 0.82 HRH3 (0.64) ALDH1A1LTA4H
SCHEMBL1490164 0.82 KCNA3 (1.00) KCNA3ALDH1A1DRD2DRD4DRD3
SCHEMBL1445771 0.81 DRD2 (0.75) KCNA3ALDH1A1MAPK1DRD2DRD4
SCHEMBL3357696 0.81 KCNA3 (0.70) KCNA3ALDH1A1DRD2DRD4DRD3

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
US-4985393-A Bis/hydroxyphenylthio/ Compounds KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1991-01-15 US disclosed
EP-0373561-A2 Heat sensitive recording material KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1990-06-20 EP disclosed