SCHEMBL7841113

SCHEMBL7841113

CC(C)(C)OC(=O)OC(=O)C1(Cc2cccc(NS(C)(=O)=O)c2)CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 2/20 0.37
POLB P06746 1/20 0.37
HTR6 P50406 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ROCK1 Q13464 3/20 0.35
ROCK2 O75116 2/20 0.35
PARP1 P09874 1/20 0.35
KIF18A Q8NI77 1/20 0.35
NR3C1 P04150 2/20 0.34
NTRK1 P04629 1/20 0.34
RAF1 P04049 1/20 0.34
MAP2K1 Q02750 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
SSTR1 P30872 1/20 0.33
SSTR4 P31391 1/20 0.33

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
SCHEMBL8162240 0.78 TACR1 (0.45) ALDH1A1DRD2DRD4
SCHEMBL7829838 0.77 PKLR (0.48) POLBALDH1A1
SCHEMBL7841109 0.76 TGFBR1 (0.45) KIF18A
SCHEMBL5170560 0.69 NR3C1 (0.40) TYRO3POLBALDH1A1SMN1; SMN2ROCK1
SCHEMBL10210711 0.69 BRD4 (0.51) POLBALDH1A1SMN1; SMN2ROCK1ROCK2
Hydrochloric Acid SCHEMBL7841619 0.68 KMT2A (0.44) POLBALDH1A1SMN1; SMN2
SCHEMBL1177815 0.68 FFAR1 (0.44)
SCHEMBL7839369 0.68 SSTR4 (0.49) POLBALDH1A1SSTR1SSTR4
SCHEMBL7840409 0.67 SSTR4 (0.42) POLBALDH1A1SMN1; SMN2SSTR1SSTR4
Hydrochloric Acid SCHEMBL7832311 0.67 SSTR4 (0.50) POLBALDH1A1SSTR1SSTR4

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
EP-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP disclosed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP disclosed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed