SCHEMBL11547722

SCHEMBL11547722

C[Sn](C)C.O=C(CS)OC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.50
HTT P42858 3/20 0.49
CYP2C19 P33261 1/20 0.47
EPHX1 P07099 2/20 0.46
CYP19A1 P11511 4/20 0.42
HSD17B10 Q99714 3/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 3/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HDAC4 P56524 1/20 0.34

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
SCHEMBL11546677 0.98 NAAA (0.49) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL1405464 0.92 CYP2C19 (0.53) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL4679989 0.90 NAAA (0.50) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL11547705 0.89 NAAA (0.50) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL11546661 0.86 NAAA (0.49) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL331246 0.81 TSHR (0.42) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL15921260 0.81
SCHEMBL11802383 0.79 NAAA (0.56) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL5829801 0.76 NAAA (0.58) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL11600264 0.76 CYP19A1 (0.50) NAAAHTTCYP2C19EPHX1CYP19A1

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-4179432-A 2-HYDROXYBENZOPHENONE, ORGANOTIN MERCAPTIDE PHOTOSTABILITY CINCINNATI MILACRON CHEMICALS, INC. (US) 1979-12-18 US disclosed