SCHEMBL8158463

SCHEMBL8158463

O=C(O)CCCCCCOc1ccccc1OCCCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
PPARA Q07869 3/20 0.56
LTB4R Q15722 2/20 0.55
LTB4R2 Q9NPC1 2/20 0.55
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
TSHR P16473 1/20 0.53
PLA2G4B P0C869 1/20 0.52

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
SCHEMBL8161707 1.00 LMNA (0.61) LMNAPPARALTB4RLTB4R2ALDH1A1
SCHEMBL8164966 1.00 LMNA (0.61) LMNAPPARALTB4RLTB4R2ALDH1A1
SCHEMBL8162369 1.00 LMNA (0.61) LMNAPPARALTB4RLTB4R2ALDH1A1
SCHEMBL8164009 1.00 LMNA (0.61) LMNAPPARALTB4RLTB4R2ALDH1A1
SCHEMBL8162521 1.00 LMNA (0.61) LMNAPPARALTB4RLTB4R2ALDH1A1
SCHEMBL8148979 1.00 LMNA (0.61) LMNAPPARALTB4RLTB4R2ALDH1A1
SCHEMBL8162827 1.00 LMNA (0.61) LMNAPPARALTB4RLTB4R2ALDH1A1
SCHEMBL8149988 1.00 LMNA (0.61) LMNAPPARALTB4RLTB4R2ALDH1A1
SCHEMBL8157470 1.00 LMNA (0.61) LMNAPPARALTB4RLTB4R2ALDH1A1
SCHEMBL8157758 1.00 LMNA (0.61) LMNAPPARALTB4RLTB4R2ALDH1A1

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
US-6046183-A SYNERGISTIC MIXTURE OF FINASTERIDE AND DOXAZOSIN MERCK & CO., INC. (US) 2000-04-04 US disclosed
US-5994362-A ADMINISTERING FINASTERIDE AND CASODEX MERCK & CO., INC. (US) 1999-11-30 US disclosed
US-5753641-A SYNERGISTIC THERAPY COMPRISING FINASTERIDE AND TERAZOSIN DRUGS MERCK & CO., INC. (US) 1998-05-19 US disclosed
EP-0576603-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO. INC. (US) 1994-01-05 EP disclosed
EP-0525888-A1 New catechol type non-steroidal drugs as 5-alpha reductase inhibitors MERCK & CO. INC. (US) 1993-02-03 EP disclosed
WO-1992018132-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA COMTAINING A 5 ALPHA-REDUCTASE INHIBITOR MERCK & CO., INC. (US) 1992-10-29 WO disclosed
WO-1992016213-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 WO disclosed
WO-1992016233-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC CANCER CONTAINING A 5 ALPHA REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 WO disclosed