SCHEMBL7619014

SCHEMBL7619014

COC(=O)c1ccc2c(c1SC)OCCC2(SC)SC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK4 Q16654 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL7617127 0.86 HNF4A (0.32)
SCHEMBL7624171 0.85 ABL1 (0.34) CA12CA1CA2CA7PDK2
SCHEMBL7994063 0.74 LTB4R (0.37) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL7617148 0.73 TSHR (0.32) TSHR
SCHEMBL5956540 0.71 TSHR (0.37) CA12CA1CA2CA7PDK2
SCHEMBL5956896 0.71 TSHR (0.37) CA12CA1CA2CA7PDK2
SCHEMBL6349021 0.70 ALOX5 (0.42) KDM4EALDH1A1HSD17B10LMNAHPGD
SCHEMBL5956740 0.70 TSHR (0.36) CA12CA1CA2CA7PDK2
SCHEMBL5956890 0.70 TSHR (0.36) CA12CA1CA2CA7PDK2
SCHEMBL8440033 0.69 CA12 (0.41) CA12CA1CA2CA7PDK2

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
US-6440899-B1 CROP HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-08-27 US disclosed
US-6352959-B1 HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-03-05 US disclosed
US-6326333-B1 HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-12-04 US disclosed