SCHEMBL7990435

SCHEMBL7990435

CC(=O)OC1CCCC2C(=O)C[C@@H]3[C@H](CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]34)[C@@]12C

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1L1 Q9UHC9 2/20 0.62
USP2 O75604 2/20 0.62
LMNA P02545 2/20 0.62
FNTA P49354 6/20 0.54
FNTB P49356 6/20 0.54
CDC25A P30304 4/20 0.53
CDC25B P30305 1/20 0.50
SRD5A1 P18405 3/20 0.47
SRD5A2 P31213 3/20 0.47
POLA1 P09884 2/20 0.46
ABCB1 P08183 1/20 0.46
OSBP P22059 1/20 0.46
RORC P51449 1/20 0.46
OSBP2 Q969R2 1/20 0.46
CYP46A1 Q9Y6A2 1/20 0.46

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
SCHEMBL11335948 1.00 NPC1L1 (0.62) NPC1L1USP2LMNAFNTAFNTB
SCHEMBL29272053 0.90 PTPN1 (0.52) NPC1L1USP2LMNAFNTAFNTB
SCHEMBL11321979 0.85 NPC1L1 (0.72) NPC1L1USP2LMNAFNTAFNTB
SCHEMBL248173 0.85 NPC1L1 (0.72) NPC1L1USP2LMNAFNTAFNTB
SCHEMBL4739368 0.84 CDC25A (0.57) USP2LMNAFNTAFNTBCDC25A
SCHEMBL4740626 0.84 CDC25A (0.57) USP2LMNAFNTAFNTBCDC25A
SCHEMBL11413673 0.84 USP2 (0.73) NPC1L1USP2LMNAFNTAFNTB
SCHEMBL11318380 0.84 CDC25A (0.51) NPC1L1USP2LMNAFNTAFNTB
SCHEMBL11318351 0.84 CDC25A (0.51) NPC1L1USP2LMNAFNTAFNTB
SCHEMBL7990437 0.84 USP2 (0.73) NPC1L1USP2LMNAFNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE30538-E VITAMIN D3 DERIVATIVE WHICH PROMOTES INTESTINAL CALCIUM TRANSPORT AND BONE CALCIUM MOBILIZATION WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1981-03-03 US claimed
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-RE30538-E VITAMIN D3 DERIVATIVE WHICH PROMOTES INTESTINAL CALCIUM TRANSPORT AND BONE CALCIUM MOBILIZATION WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1981-03-03 US 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