SCHEMBL8561807

SCHEMBL8561807

Cc1cccc(C(=O)NC(CCOc2ccccc2)C(=O)O)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43
UTS2R Q9UKP6 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ITGB3 P05106 2/20 0.42
ITGB1 P05556 2/20 0.42
ITGAV P06756 2/20 0.42
ITGA5 P08648 2/20 0.42
PYGL P06737 5/20 0.42
FNTA P49354 2/20 0.42
FNTB P49356 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARG P37231 1/20 0.41
CYP2C9 P11712 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL8675834 0.84 FNTA (0.41) TDP1L3MBTL1ITGB3ITGB1ITGAV
SCHEMBL8679817 0.79 GRM2 (0.43) ITGB3ITGB1ITGAVITGA5MEN1
SCHEMBL1096849 0.79 ITGB3 (0.58) NPC1RAB9AITGB3ITGB1ITGAV
SCHEMBL8678028 0.78 GRM2 (0.45) ITGB3MEN1KMT2APPARG
SCHEMBL8678794 0.77 GRM2 (0.47) ITGB3ITGB1MEN1KMT2APPARG
SCHEMBL10977898 0.77 MTNR1A (0.56) TDP1L3MBTL1RAB9AITGB3PPARG
SCHEMBL8676384 0.77 GPR132 (0.43) FNTAFNTB
SCHEMBL8679794 0.77 PPARG (0.43) TDP1L3MBTL1CTSLCTSSFNTA
SCHEMBL8676994 0.77 GRM2 (0.46) ITGB3ITGB1MEN1KMT2APPARG
SCHEMBL8679534 0.76 PTPN1 (0.46) TDP1L3MBTL1ITGB3ITGB1ITGAV

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