SCHEMBL6410046

SCHEMBL6410046

CC(=O)OCc1c[nH]c(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
CYP2C19 P33261 3/20 0.39
CYP1A2 P05177 2/20 0.39
GPR84 Q9NQS5 2/20 0.35
LMNA P02545 1/20 0.35
ACSS2 Q9NR19 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C9 P11712 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
IDH1 O75874 1/20 0.33
NPC1 O15118 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
SCHEMBL7832486 0.81 KDM4E (0.41) ALDH1A1CYP1A2MEN1KMT2AOPRM1
SCHEMBL6432978 0.80 ALDH1A1 (0.42) ALDH1A1CYP2C19CYP1A2GPR84LMNA
SCHEMBL7842985 0.80 AKR1B1 (0.36) ALDH1A1CYP2C19LMNAMEN1KMT2A
SCHEMBL7846190 0.78 KEAP1 (0.41) CYP2C19CYP1A2LMNACYP2C9CHRM2
SCHEMBL6958918 0.78 TDP1 (0.34) ACSS2JAK3
SCHEMBL6411394 0.77 NOTUM (0.34) JAK2JAK3
SCHEMBL7709266 0.76 BACE1 (0.32)
SCHEMBL6432977 0.76 ALDH1A1 (0.43) ALDH1A1CYP2C19CYP1A2ACSS2MEN1
SCHEMBL4968480 0.75 CTSK (0.36) ALDH1A1OPRM1JAK3KDM4E
SCHEMBL6457920 0.75 HRH1 (0.37) CYP1A2

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 117 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090011-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2005-04-06 EP disclosed
EP-1090012-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2005-04-06 EP disclosed
EP-1332134-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2003-08-06 EP disclosed
EP-1158984-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2003-05-21 EP disclosed
EP-1019529-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2002-09-11 EP disclosed
WO-2002060868-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2002-08-08 WO disclosed
EP-1214326-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-06-19 EP disclosed
EP-0891360-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-05-15 EP disclosed
WO-2002002108-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2002-01-10 WO disclosed
EP-0900081-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-01-09 EP disclosed
WO-1997036593-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed
WO-1997036591-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed
WO-1997036583-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed
WO-1997036900-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed
WO-1997036587-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-09 WO disclosed
WO-1997036898-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed
WO-1997027853-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-08-07 WO disclosed
WO-1997027854-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-08-07 WO disclosed
WO-1997027752-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-08-07 WO disclosed
WO-1997018813-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-05-29 WO disclosed