SCHEMBL8158347

SCHEMBL8158347

O=C(O)CCCCCCCCC(=O)Nc1ccccc1OCCCCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.63
HDAC1 Q13547 8/20 0.60
HDAC2 Q92769 8/20 0.60
HDAC3 O15379 7/20 0.60
HDAC4 P56524 6/20 0.60
HDAC7 Q8WUI4 6/20 0.60
HDAC10 Q969S8 6/20 0.60
HDAC11 Q96DB2 6/20 0.60
HDAC8 Q9BY41 6/20 0.60
HDAC6 Q9UBN7 6/20 0.60
HDAC9 Q9UKV0 6/20 0.60
HDAC5 Q9UQL6 6/20 0.60
GAA P10253 1/20 0.57
POLB P06746 1/20 0.53
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NCOR2 Q9Y618 2/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 2/20 0.50

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
SCHEMBL8158211 1.00 CYP2C19 (0.63) CYP2C19HDAC1HDAC2HDAC3HDAC4
SCHEMBL8158931 1.00 CYP2C19 (0.63) CYP2C19HDAC1HDAC2HDAC3HDAC4
SCHEMBL8159511 1.00 CYP2C19 (0.63) CYP2C19HDAC1HDAC2HDAC3HDAC4
SCHEMBL8157926 1.00 CYP2C19 (0.63) CYP2C19HDAC1HDAC2HDAC3HDAC4
SCHEMBL8163696 1.00 CYP2C19 (0.63) CYP2C19HDAC1HDAC2HDAC3HDAC4
SCHEMBL8159475 1.00 CYP2C19 (0.63) CYP2C19HDAC1HDAC2HDAC3HDAC4
SCHEMBL8159541 1.00 CYP2C19 (0.63) CYP2C19HDAC1HDAC2HDAC3HDAC4
SCHEMBL8163446 1.00 CYP2C19 (0.63) CYP2C19HDAC1HDAC2HDAC3HDAC4
SCHEMBL8161528 0.97 CYP2C19 (0.63) CYP2C19HDAC1HDAC2HDAC3HDAC4
SCHEMBL8162692 0.97 CYP2C19 (0.63) CYP2C19HDAC1HDAC2HDAC3HDAC4

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-0526093-A1 New non-steroidal agents 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