SCHEMBL7425320

SCHEMBL7425320

CC(C)(C)OC(=O)N(Cc1cc(C(=O)O)ccc1N)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
GAA P10253 3/20 0.38
POLB P06746 1/20 0.38
NR4A1 P22736 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HSD11B1 P28845 1/20 0.37
CDC25B P30305 1/20 0.37
REN P00797 1/20 0.37
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR119 Q8TDV5 3/20 0.35
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 4/20 0.34
CYP2D6 P10635 3/20 0.34
HDAC3 O15379 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL7429986 0.91 ALOX15 (0.42) KDM4EHSD11B1RENALDH1A1MAPT
SCHEMBL7423995 0.84 POLB (0.44) POLB
SCHEMBL6941296 0.82 CDC25B (0.42) KDM4EGAAPOLBNR4A1HSD17B10
SCHEMBL24619470 0.81 HDAC8 (0.48) HSD11B1ALDH1A1GPR119HDAC3HDAC8
SCHEMBL28754347 0.80 PTGER4 (0.41) KDM4EGAAPOLBNR4A1HSD17B10
SCHEMBL18585599 0.80 HSD11B1 (0.44) HSD11B1RENALDH1A1SLC6A2SLC6A4
SCHEMBL30537859 0.80 HSD11B1 (0.44) HSD11B1RENALDH1A1SLC6A2SLC6A4
SCHEMBL13267029 0.78 GPR119 (0.50) HSD11B1GPR119HDAC3HDAC8HDAC6
SCHEMBL4526670 0.77 REN (0.43) HSD11B1RENSLC6A2SLC6A4SLC6A3
SCHEMBL2643438 0.76 GCGR (0.48) HSD11B1HDAC3HDAC8HDAC6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495545-B1 ANTIOSTEOPOROTIC, ANTIRESTENOTIC, ANTICARCINOGENIC AND ANTIATHEROSCLEROTIC ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2002-12-17 US disclosed
US-6339083-B1 FOR THERAPY OF OSTEOPOROSIS, RESTENOSIS, CARCINOSES AND/OR ARTERIOSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 2002-01-15 US disclosed
EP-1140927-A1 1,4-BENZODIAZEPINONE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2001-10-10 EP disclosed
WO-2000035917-A1 1,4-BENZODIAZEPINONE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2000-06-22 WO disclosed