SCHEMBL13921982

SCHEMBL13921982

Cc1cc(C)c(-c2cc(C)c(-c3ccc(N(c4ccc(-c5cc(C)c(-c6c(C)cc(C)cc6C)cc5C)cc4)c4ccc(-c5cc(C)c(-c6c(C)cc(C)cc6C)cc5C)cc4)cc3)cc2C)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.32
MAPT P10636 2/20 0.31
PDK2 Q15119 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL13049488 0.89 ALDH1A1 (0.36) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL13049486 0.82 ALDH1A1 (0.35) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL13049490 0.81 PDK2 (0.31) PDK2
SCHEMBL13049487 0.81 MAPT (0.36) CRHR1MAPTMEN1ALDH1A1KMT2A
SCHEMBL14825137 0.79 MEN1 (0.32) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL13049522 0.79 ALDH1A1 (0.45) MAPTMEN1ALDH1A1KMT2AESR2
SCHEMBL11966928 0.79 ALDH1A1 (0.40) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL13049494 0.79 ESR2 (0.40) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL16386573 0.77 PSMB5 (0.40) MAPTALDH1A1SMN1; SMN2ESR2
SCHEMBL11966921 0.77 ESR2 (0.39) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485376-B2 Organic electroluminescent element, illuminator, and display KONICA MINOLTA HOLDINGS, INC. (JP) 2009-02-03 US disclosed
US-7485376-B2 Organic electroluminescent element, illuminator, and display KONICA MINOLTA HOLDINGS, INC. (JP) 2009-02-03 US disclosed