SCHEMBL7990437

SCHEMBL7990437

CC(=O)OC1CC[C@@]2(C)C(C1)C(=O)C[C@H]1[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]12

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.73
NPC1L1 Q9UHC9 2/20 0.73
LMNA P02545 1/20 0.73
CDC25A P30304 6/20 0.61
VDR P11473 1/20 0.58
FNTA P49354 5/20 0.55
FNTB P49356 5/20 0.55
POLA1 P09884 2/20 0.54
CDC25B P30305 1/20 0.51
CYP46A1 Q9Y6A2 1/20 0.50
SRD5A1 P18405 1/20 0.48
SRD5A2 P31213 1/20 0.48

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
SCHEMBL11420923 1.00 USP2 (0.73) USP2NPC1L1LMNACDC25AVDR
SCHEMBL11413673 1.00 USP2 (0.73) USP2NPC1L1LMNACDC25AVDR
SCHEMBL11579247 0.93 NPC1L1 (0.63) USP2NPC1L1LMNACDC25AVDR
SCHEMBL31504626 0.91 NPC1L1 (0.60) USP2NPC1L1LMNACDC25AVDR
SCHEMBL24998517 0.88 USP2 (0.59) USP2NPC1L1LMNACDC25AVDR
SCHEMBL14771067 0.88 USP2 (0.59) USP2NPC1L1LMNACDC25AVDR
SCHEMBL19685131 0.88 USP2 (0.59) USP2NPC1L1LMNACDC25AVDR
SCHEMBL18092599 0.88 USP2 (0.59) USP2NPC1L1LMNACDC25AVDR
SCHEMBL18575781 0.88 USP2 (0.59) USP2NPC1L1LMNACDC25AVDR
SCHEMBL25702700 0.88 USP2 (0.59) USP2NPC1L1LMNACDC25AVDR

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-6274118-B1 INJECTING PATIENT HAVING ENDOCRINE CANCER IN NON-PROSTATIC TISSUE WITH BIOLOGICAL BINDING UNITS WHICH BIND TO PROSTATE SPECIFIC ANTIGEN PRODUCED BY NON-PROSTATIC TISSUE NORDION INTERNATIONAL INC. (CA) 2001-08-14 US disclosed
WO-1995002424-A1 LOCALIZATION AND THERAPY OF NON-PROSTATIC ENDOCRINE CANCER WITH AGENTS DIRECTED AGAINST PROSTATE SPECIFIC ANTIGEN NORDION INTERNATIONAL INC. (CA) 1995-01-26 WO disclosed
US-4212815-A REACTING A KETONE WITH AN N,N-DISUBSTITUTED AMINOSULFUR TRIFLUORIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-07-15 US disclosed