SCHEMBL8561805

SCHEMBL8561805

CCC(NC(=O)c1cccc(C)c1C)(Oc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 2/20 0.39
AKR1B10 O60218 1/20 0.39
TRPA1 O75762 1/20 0.39
ABCB11 O95342 1/20 0.39
DHFR P00374 1/20 0.39
MPO P05164 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL8675844 0.82 L3MBTL1 (0.40) NPSR1L3MBTL1LMNARAB9ATDP1
SCHEMBL1096852 0.79 POLB (0.47) NPSR1L3MBTL1NPC1RAB9AKMT2A
SCHEMBL8679819 0.76 PPARG (0.42) NPSR1L3MBTL1PPARGPPARDPPARA
SCHEMBL8676389 0.76 LRRK2 (0.43) NPSR1L3MBTL1KMT2AMEN1TDP1
SCHEMBL8679798 0.76 MAPT (0.43) NPSR1L3MBTL1LMNARAB9AKMT2A
SCHEMBL8678032 0.76 CXCR2 (0.44) NPSR1L3MBTL1NPC1RAB9AKMT2A
SCHEMBL8678800 0.75 CXCR2 (0.45) NPSR1L3MBTL1PPARG
SCHEMBL8677000 0.74 CXCR2 (0.44) NPSR1L3MBTL1PPARGPPARA
SCHEMBL8679538 0.74 L3MBTL1 (0.42) NPSR1L3MBTL1HTTKMT2AMEN1
SCHEMBL11560111 0.72 NPSR1 (0.43) NPSR1L3MBTL1NPC1RAB9AKMT2A

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-5994362-A ADMINISTERING FINASTERIDE AND CASODEX MERCK & CO., INC. (US) 1999-11-30 US disclosed
WO-1994015602-A1 COMBINATION METHOD FOR TREATING PATTERNED ALOPECIA WITH 17β-N-SUBSTITUTED-CARBAMOYL-4-AZA-5α-ANDROST-1-EN-3-ONES AND MINOXIDIL MERCK & CO., INC. (US) 1994-07-21 WO 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