SCHEMBL19954354

SCHEMBL19954354

CC(C)(C)C(c1ccc(C(=O)OC(CS(=O)(=O)O)C(F)(F)F)cc1)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
UTS2R Q9UKP6 2/20 0.34
GRIA4 P48058 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
RORC P51449 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 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
SCHEMBL18891092 0.90 KMT2A (0.36) KMT2AMEN1UTS2RGRIA4CA12
SCHEMBL18890978 0.88 KMT2A (0.34) KMT2AMEN1UTS2RGRIA4CA12
SCHEMBL18775874 0.87 UTS2R (0.38) KMT2AMEN1UTS2RGRIA4CA12
SCHEMBL18896955 0.85 KMT2A (0.33) KMT2AMEN1UTS2RGRIA4
SCHEMBL18775776 0.84 MEN1 (0.42) KMT2AMEN1GRIA4CA1CA2
SCHEMBL18775773 0.84 TDP1 (0.41) KMT2AUTS2RCA12CA1CA2
SCHEMBL20008836 0.83 CA1 (0.36) KMT2AMEN1UTS2RGRIA4CA12
SCHEMBL18775680 0.83 POLB (0.42) KMT2ACA12CA1CA2CA7
SCHEMBL18775688 0.82 PDCD1 (0.40) KMT2AMEN1UTS2RGRIA4CA12
SCHEMBL18775869 0.82 KMT2A (0.40) KMT2AMEN1CA1CA2MAPK1

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
US-9916916-B2 Conductive material and substrate SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-03-13 US disclosed