SCHEMBL8413491

SCHEMBL8413491

CCC(c1ccccc1)C(OCC1(CC)COC1)OCC1(CC)COC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HKDC1 Q2TB90 1/20 0.36
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 1/20 0.32
LMNA P02545 1/20 0.32
MIF P14174 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
GAA P10253 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL5185515 0.82 CTSK (0.42) CTSKMEN1KMT2ATSHRPOLB
SCHEMBL8415288 0.75 MEN1 (0.38) CTSKMEN1KMT2ATSHRPOLB
SCHEMBL28807663 0.74 CTSK (0.40) CTSKMEN1KMT2ATSHRPOLB
SCHEMBL8008053 0.73 CTSK (0.38) CTSKMEN1KMT2ATSHRPOLB
SCHEMBL214522 0.72 CTSK (0.38) CTSKMEN1KMT2ATSHRPOLB
SCHEMBL30614613 0.72 TSHR (0.36) CTSKMEN1KMT2ATSHRPOLB
SCHEMBL16535499 0.72 CTSK (0.37) CTSKMEN1KMT2ATSHRPOLB
SCHEMBL36030 0.70 MEN1 (0.41) CTSKMEN1KMT2ATSHRPOLB
SCHEMBL28517528 0.69 TSHR (0.32) TSHR
SCHEMBL8415886 0.69 TSHR (0.35) CTSKMEN1KMT2ATSHRPOLB

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-5958648-A Radiation sensitive resin composition JSR CORPORATION (JP) 1999-09-28 US disclosed