SCHEMBL8767950

SCHEMBL8767950

COC(=O)CCCC(C)=S.COC(=O)CCCCl

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RECQL P46063 1/20 0.35
OXER1 Q8TDS5 1/20 0.35

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
SCHEMBL8420085 0.89 TSHR (0.75) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL83390 0.87
SCHEMBL10602250 0.83 TSHR (0.64) TSHRALDH1A1LMNAMEN1KMT2A
Trimethylammonium SCHEMBL23494760 0.81 TSHR (0.61) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL1363541 0.81
SCHEMBL11848782 0.80
SCHEMBL11862242 0.79 TSHR (0.64) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL1363303 0.79 TSHR (0.64) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL328762 0.79 TSHR (0.64) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL1366448 0.79 TSHR (0.64) TSHRALDH1A1LMNAMEN1KMT2A

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
EP-0791576-A2 Leukotriene antagonistic benzoic acid derivatives BAYER AG (DE) 1997-08-27 EP disclosed