SCHEMBL7767455

SCHEMBL7767455

O=C1OC(CCS)CC1CS

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C9 P11712 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7769357 0.89 ALDH1A1 (0.37) KMT2APOLBMEN1HTTALDH1A1
SCHEMBL9033045 0.85 POLB (0.37) KMT2APOLBMEN1HTTALDH1A1
SCHEMBL7767486 0.85 POLB (0.37) KMT2APOLBMEN1HTTALDH1A1
SCHEMBL20968646 0.68 POLB (0.51) KMT2APOLBMEN1HTTALDH1A1
SCHEMBL14973545 0.67 KMT2A (0.60) KMT2AMEN1HTTALDH1A1HPGD
SCHEMBL3657694 0.65 HTT (0.59) KMT2AMEN1HTTALDH1A1HPGD
SCHEMBL9450597 0.65 KMT2A (0.55) KMT2AMEN1HTTALDH1A1HPGD
SCHEMBL7767464 0.65 TP53 (0.32) KMT2AKDM4E
SCHEMBL9450633 0.64 HTT (0.58) KMT2AMEN1HTTALDH1A1HPGD
SCHEMBL3658650 0.64 HTT (0.62) KMT2AMEN1HTTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639566-B1 CYCLIC COMPOUND SANTEN PHARMACEUTICAL CO LTD (JP) 2001-06-20 EP disclosed
US-5461158-A Immunodeficiency and autoimmune diseases SANTEN PHARMACEUTICAL CO., LTD. (JP) 1995-10-24 US disclosed
EP-0639566-A1 CYCLIC COMPOUND SANTEN PHARMACEUTICAL CO., LTD. (JP) 1995-02-22 EP disclosed