SCHEMBL7423995

SCHEMBL7423995

CC(C)(C)OC(=O)N(Cc1cc(C(=O)O)ccc1[N+](=O)[O-])C1CC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
TSHR P16473 2/20 0.43
CASP6 P55212 1/20 0.43
HCAR3 P49019 11/20 0.41
LMNA P02545 1/20 0.38

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
SCHEMBL7426435 0.91 KMT2A (0.40) POLBLMNA
SCHEMBL7425320 0.84 KDM4E (0.38) POLB
SCHEMBL6950389 0.84 POLB (0.49) POLBTSHRCASP6HCAR3LMNA
SCHEMBL8327806 0.78 POLB (0.44) POLBTSHRCASP6HCAR3LMNA
SCHEMBL8327873 0.78 POLB (0.44) POLBTSHRCASP6HCAR3LMNA
SCHEMBL14498139 0.78 SLC6A4 (0.47)
SCHEMBL8327876 0.78 POLB (0.44) POLBTSHRCASP6HCAR3LMNA
SCHEMBL8327809 0.78 POLB (0.44) POLBTSHRCASP6HCAR3LMNA
SCHEMBL7338212 0.78 POLB (0.44) POLBTSHRCASP6HCAR3LMNA
SCHEMBL28691449 0.78 HSD11B1 (0.47) LMNA

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