SCHEMBL7970029

SCHEMBL7970029

CC(Oc1cc(C#N)ccc1CO)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.43
FNTB P49356 5/20 0.43
PGGT1B P53609 3/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP19A1 P11511 4/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ACLY P53396 1/20 0.34
MCHR1 Q99705 1/20 0.34
HTR2A P28223 1/20 0.34
KCNH2 Q12809 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
SCHEMBL7984618 0.89 FNTA (0.41) FNTAFNTBPGGT1BPTGDR2CYP19A1
SCHEMBL3499427 0.79 FNTA (0.47) FNTAFNTBPGGT1BCYP19A1CYP11B1
SCHEMBL21313895 0.79 KCNH2 (0.41) PTGDR2SLC6A4HTR2AKCNH2
Hydrochloric Acid SCHEMBL7970985 0.78 FNTA (0.46) FNTAFNTBPGGT1BCYP19A1CYP11B1
SCHEMBL7983941 0.76 MAOB (0.47) PTGDR2CYP19A1CYP11B1CYP11B2PDCD1
SCHEMBL7988110 0.76 HPGD (0.41) PTGDR2PDCD1CD274
SCHEMBL7970032 0.74 CYP19A1 (0.57) FNTAFNTBPGGT1BPTGDR2MEN1
SCHEMBL15778369 0.72 SLC6A4 (0.52) MEN1KMT2ASLC6A4
SCHEMBL15778543 0.72 KDM5A (0.49) SLC6A4HTR2A
SCHEMBL3551458 0.71 AR (0.47) CYP11B1CYP11B2PDCD1CD274SLC6A4

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
US-6297239-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2001-10-02 US disclosed
EP-1021188-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-07-26 EP disclosed
WO-1999017777-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-04-15 WO disclosed