SCHEMBL7532429

SCHEMBL7532429

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)CC[C@@H](C)[C@H]5CCC6C7CCC8CCCC[C@]8(C)C7CC[C@@]65C)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.68
MEN1 O00255 2/20 0.68
LMNA P02545 2/20 0.68
KMT2A Q03164 2/20 0.68
AKR1B10 O60218 1/20 0.68
AKR1B1 P15121 1/20 0.68
EFNA1 P20827 1/20 0.68
EPHA2 P29317 1/20 0.68
PSEN1 P49768 1/20 0.68
PSEN2 P49810 1/20 0.68
APH1B Q8WW43 1/20 0.68
NCSTN Q92542 1/20 0.68
APH1A Q96BI3 1/20 0.68
PSENEN Q9NZ42 1/20 0.68
HSD17B10 Q99714 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
USP2 O75604 2/20 0.67
VDR P11473 2/20 0.67
TBXA2R P21731 1/20 0.65
SLC10A2 Q12908 1/20 0.65

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
SCHEMBL288629 0.93 EPHA2 (0.79) GPBAR1MEN1LMNAKMT2AAKR1B10
SCHEMBL2323981 0.92 GPBAR1 (0.78) GPBAR1MEN1LMNAKMT2AAKR1B10
SCHEMBL288947 0.92 GPBAR1 (0.63) GPBAR1MEN1LMNAKMT2AAKR1B10
SCHEMBL433005 0.89 GPBAR1 (0.83) GPBAR1MEN1LMNAKMT2AAKR1B10
SCHEMBL23231215 0.88 GPBAR1 (0.72) GPBAR1MEN1LMNAKMT2AAKR1B10
SCHEMBL288122 0.88 GPBAR1 (0.72) GPBAR1MEN1LMNAKMT2AAKR1B10
SCHEMBL288704 0.88 GPBAR1 (0.72) GPBAR1MEN1LMNAKMT2AAKR1B10
SCHEMBL24151982 0.87 GPBAR1 (0.78) GPBAR1MEN1LMNAKMT2AAKR1B10
SCHEMBL23710532 0.87 GPBAR1 (0.78) GPBAR1MEN1LMNAKMT2AAKR1B10
SCHEMBL22415771 0.87 GPBAR1 (0.78) GPBAR1MEN1LMNAKMT2AAKR1B10

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-20020040051-A1 Solid dispersion of ipriflavone for oral administration and its manufacturing methods KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2002-04-04 US claimed
WO-2002013790-A1 SOLID DISPERSION OF IPRIFLAVONE FOR ORAL ADMINISTRATION AND ITS MANUFACTURING METHODS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2002-02-21 WO claimed
US-20020040051-A1 Solid dispersion of ipriflavone for oral administration and its manufacturing methods KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2002-04-04 US disclosed
WO-2002013790-A1 SOLID DISPERSION OF IPRIFLAVONE FOR ORAL ADMINISTRATION AND ITS MANUFACTURING METHODS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2002-02-21 WO disclosed