SCHEMBL6417291

SCHEMBL6417291

O=C(O)C1(c2cccc(O)c2)CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.65
HDAC4 P56524 3/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43
APP P05067 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL14531297 0.98 AKR1C1 (0.67) AKR1C1HDAC4MEN1KMT2AAPP
SCHEMBL1465031 0.91 AKR1C1 (0.55) AKR1C1APPCYP2D6CYP2C9CYP2C19
SCHEMBL12020311 0.83 HDAC4 (0.49) AKR1C1HDAC4CYP2D6
SCHEMBL7802441 0.83 LMNA (0.53) AKR1C1HDAC4
SCHEMBL4827909 0.81 AKR1C1 (0.62) AKR1C1HDAC4MEN1KMT2A
SCHEMBL17632673 0.81 AKR1C1 (0.62) AKR1C1HDAC4MEN1KMT2ALTB4R
SCHEMBL3219884 0.81 AKR1C1 (0.62) AKR1C1HDAC4MEN1KMT2ALTB4R
SCHEMBL435932 0.81 AKR1C1 (0.62) AKR1C1HDAC4MEN1KMT2ALTB4R
SCHEMBL19249602 0.81 AKR1C1 (0.96) AKR1C1HDAC4MEN1KMT2A
SCHEMBL66387 0.81 AKR1C1 (0.96) AKR1C1HDAC4MEN1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090012-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2005-04-06 EP disclosed
US-6562823-B1 Inhibition of farnesyl-protein transferase has been shown to block the growth of Ras-transformed cells in soft agar MERCK & CO., INC. 2003-05-13 US disclosed
EP-1165082-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-06-12 EP disclosed
US-6358956-B1 IMIDAZOLYLALKYL-1-PIPERAZINE DERIVATIVES; FARNESYL-PROTEIN AND GERANYLGERANYL TRANSFERASE INHIBITORS; ANTICARCINOGENIC AGENTS MERCK & CO., INC. 2002-03-19 US disclosed
EP-1165082-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-01-02 EP disclosed
EP-1090012-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-11 EP disclosed
WO-2000051611-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 WO disclosed
WO-2000001702-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 WO disclosed