SCHEMBL7988110

SCHEMBL7988110

CC(Oc1cc(C#N)ccc1C(=O)Oc1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
XBP1 P17861 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.39
PDCD1 Q15116 8/20 0.39
CD274 Q9NZQ7 8/20 0.39
MAPT P10636 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
LMNA P02545 1/20 0.37
XDH P47989 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
MGLL Q99685 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL7988111 0.76 CYP19A1 (0.51) HPGDPDCD1CD274MAPTPTGDR2
SCHEMBL7970029 0.76 FNTA (0.43) PDCD1CD274PTGDR2
SCHEMBL7984618 0.75 FNTA (0.41) PTGDR2
SCHEMBL11592124 0.74 MGLL (0.47) HPGDMAPTCYP1A2CYP2C19LMNA
SCHEMBL7970481 0.72 MAPT (0.61) HPGDMAPTCYP1A2CYP2C19TDP1
SCHEMBL21884592 0.69 HPGD (0.58) HPGDMAPTTDP1LMNAXDH
SCHEMBL13063635 0.69 ALDH1A1 (0.54) HPGDMAPTCYP1A2TDP1
SCHEMBL506308 0.69 SLC6A2 (0.53) MGLL
SCHEMBL8917849 0.68 ALDH1A1 (0.56) HPGDMAPTCYP1A2TDP1THRB
SCHEMBL10594198 0.68 KDM4E (0.49) HPGDIRAK4MAPTCYP1A2CYP2C19

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