SCHEMBL501853

SCHEMBL501853

CN(C(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(/C=C2/SC(=O)NC2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26B1 Q9NR63 1/20 0.57
PIM1 P11309 5/20 0.52
PIM2 Q9P1W9 4/20 0.52
GSK3B P49841 2/20 0.46
RXRA P19793 3/20 0.45
RAB9A P51151 3/20 0.43
AKR1B1 P15121 2/20 0.43
NPC1 O15118 2/20 0.43
RARA P10276 4/20 0.43
RARB P10826 4/20 0.43
RARG P13631 4/20 0.43
HPGD P15428 3/20 0.43
CYP26A1 O43174 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GMNN O75496 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL501852 1.00 CYP26B1 (0.57) CYP26B1PIM1PIM2GSK3BRXRA
SCHEMBL6905677 0.82 RARA (0.62) CYP26B1PIM1RXRARARARARB
SCHEMBL6905676 0.82 RARA (0.62) CYP26B1PIM1RXRARARARARB
SCHEMBL5084734 0.78 CYP26B1 (0.75) CYP26B1RXRARAB9ANPC1RARA
SCHEMBL14425232 0.76 CYP26B1 (0.65) CYP26B1RXRARAB9ANPC1RARA
SCHEMBL501585 0.75 RXRA (0.56) PIM1PIM2GSK3BRXRARAB9A
SCHEMBL501583 0.75 RXRA (0.56) PIM1PIM2GSK3BRXRARAB9A
SCHEMBL501582 0.75 RXRA (0.56) PIM1PIM2GSK3BRXRARAB9A
SCHEMBL1619225 0.73 RXRA (0.53) PIM1PIM2GSK3BRXRARAB9A
SCHEMBL22838105 0.73 CYP26B1 (1.00) CYP26B1RXRARARARARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291492-A1 METHOD FOR FORMING ORGAN RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2009-11-26 US claimed
US-20070161105-A1 Method of forming organ REASEARCH FOUNDATION ITSUU LABORATORY (JP) 2007-07-12 US claimed
EP-1612264-A1 ORGAN-FORMING METHOD Research Foundation Itsuu Laboratory (JP) 2006-01-04 EP claimed
US-8105833-B2 Method for forming organ RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-01-31 US disclosed
US-20090291492-A1 METHOD FOR FORMING ORGAN RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2009-11-26 US disclosed
US-20070161105-A1 Method of forming organ REASEARCH FOUNDATION ITSUU LABORATORY (JP) 2007-07-12 US disclosed
EP-1612264-A1 ORGAN-FORMING METHOD Research Foundation Itsuu Laboratory (JP) 2006-01-04 EP disclosed