SCHEMBL6074857

SCHEMBL6074857

CCC(C)(C)c1cc2c(c(C(C)(C)CC)c1)OC(=O)C2O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
CNR2 P34972 2/20 0.31
GABBR2 O75899 1/20 0.30
GABBR1 Q9UBS5 1/20 0.30
RARG P13631 1/20 0.30
RXRA P19793 1/20 0.30
PPARG P37231 1/20 0.30

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
SCHEMBL466248 0.79 GABBR2 (0.48) GABBR2GABBR1
SCHEMBL7640962 0.75 HTR2A (0.32) CNR2
SCHEMBL7155104 0.73
SCHEMBL26459771 0.73 ALDH1A1 (0.35) ALDH1A1
SCHEMBL26459774 0.73 MEN1 (0.30) MAPK1SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL5139151 0.72 GPR84 (0.32)
SCHEMBL19167977 0.69 MAPK1 (0.32) MAPK1SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL7157578 0.69 GABBR2 (0.38) GABBR2GABBR1
SCHEMBL2831030 0.69 GABBR2 (0.67) MAPK1SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL2831028 0.69 GABBR2 (0.67) MAPK1SMN1; SMN2MEN1ALDH1A1KMT2A

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-7060425-B1 Color photographic material CIBA SPECIALTY CHEMICALS CORP. (US) 2006-06-13 US disclosed
EP-1131674-B1 COLOUR PHOTOGRAPHIC MATERIAL CIBA SC HOLDING AG (CH) 2005-07-27 EP disclosed
EP-1131674-A1 COLOUR PHOTOGRAPHIC MATERIAL Ciba SC Holding AG (CH) 2001-09-12 EP disclosed
WO-2000023849-A1 COLOUR PHOTOGRAPHIC MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-04-27 WO disclosed