SCHEMBL7429986

SCHEMBL7429986

CC(C)(C)OC(=O)c1ccc(N)c(CN(C(=O)OC(C)(C)C)C2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
REN P00797 1/20 0.39
SLC7A5 Q01650 1/20 0.36
HSD11B1 P28845 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SRD5A1 P18405 1/20 0.34
HTR2A P28223 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
SCHEMBL7425320 0.91 KDM4E (0.38) RENHSD11B1GPR119HDAC3HDAC8
SCHEMBL7426435 0.84 KMT2A (0.40) RENGPR119ALDH1A1HPGD
SCHEMBL6948372 0.82 ALOX15 (0.42) ALOX15SLC7A5CA12CA1CA2
SCHEMBL6655139 0.81 ALOX15 (0.41) ALOX15SLC7A5CA12CA1CA2
SCHEMBL4202041 0.77 NOTUM (0.43) RENHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL4526670 0.77 REN (0.43) RENHSD11B1HTR2ASLC6A2SLC6A4
SCHEMBL18172734 0.77 HDAC8 (0.45) HSD11B1CA12CA1CA2CA9
SCHEMBL8327800 0.76 ALOX15 (0.38) ALOX15SLC7A5CA12CA1CA2
SCHEMBL8330003 0.76 ALOX15 (0.38) ALOX15SLC7A5CA12CA1CA2
SCHEMBL14417237 0.76 SLC6A4 (0.50) SLC6A2SLC6A4SLC6A3

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