SCHEMBL7990443

SCHEMBL7990443

CC(=O)OCC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4CCCC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
NPC1L1 Q9UHC9 2/20 0.58
USP2 O75604 2/20 0.58
GPBAR1 Q8TDU6 2/20 0.47
EPHA2 P29317 2/20 0.47
AKR1B10 O60218 1/20 0.47
AKR1B1 P15121 1/20 0.47
EFNA1 P20827 1/20 0.47
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FNTA P49354 4/20 0.45
FNTB P49356 4/20 0.45

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
SCHEMBL248175 0.87 LMNA (0.63) LMNANPC1L1USP2GPBAR1EPHA2
SCHEMBL29015206 0.85 USP2 (0.74) LMNANPC1L1USP2FNTAFNTB
SCHEMBL14924215 0.85 USP2 (0.74) LMNANPC1L1USP2FNTAFNTB
SCHEMBL863638 0.85 USP2 (0.74) LMNANPC1L1USP2FNTAFNTB
SCHEMBL4739371 0.83 GPBAR1 (0.66) LMNAUSP2GPBAR1EPHA2AKR1B10
SCHEMBL29289385 0.82 GPBAR1 (0.69) LMNANPC1L1USP2GPBAR1EPHA2
SCHEMBL23483128 0.81 GPBAR1 (0.58) LMNANPC1L1USP2GPBAR1EPHA2
SCHEMBL29289387 0.81 GPBAR1 (0.58) LMNANPC1L1USP2GPBAR1EPHA2
SCHEMBL26653759 0.81 NPC1L1 (0.60) LMNANPC1L1USP2GPBAR1EPHA2
SCHEMBL10683655 0.80 LMNA (0.45) LMNANPC1L1USP2GPBAR1EPHA2

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