SCHEMBL9075958

SCHEMBL9075958

Cc1cc(N)ccc1Oc1ccc(C2(c3ccc(Oc4ccc(N)cc4C)c(C)c3)CCC(c3ccccc3)CC2)cc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
MAPT P10636 2/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
TNK2 Q07912 2/20 0.30
TRPA1 O75762 1/20 0.30
CHEK1 O14757 1/20 0.30
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
JAK2 O60674 1/20 0.30
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 0.30
PAK4 O96013 1/20 0.30
ABL1 P00519 1/20 0.30
NTRK1 P04629 1/20 0.30
LCK P06239 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
SCHEMBL9073190 0.91 SLC6A2 (0.38) ALDH1A1ALOX15MAPTUSP2POLB
SCHEMBL9075442 0.91 NCOA1 (0.38) PPARAALDH1A1ALOX15MAPTPOLB
SCHEMBL9075368 0.90 HTR2C (0.40) PPARAALDH1A1ESR1ESR2
SCHEMBL9075867 0.86 PPARA (0.33) PPARA
SCHEMBL9074613 0.84 DRD2 (0.38) PPARA
SCHEMBL9075456 0.82 DRD2 (0.33) PPARA
SCHEMBL9075475 0.81 SPHK1 (0.33) PPARA
SCHEMBL9074468 0.81 TEAD4 (0.38) ALDH1A1MAPTPOLB
SCHEMBL9076164 0.81 TEAD4 (0.41) PPARAALDH1A1ESR1ESR2MAPT
SCHEMBL9074805 0.81 SPHK1 (0.35)

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-5545444-A Diamino compounds and liquid crystal aligning films CHISSO CORPORATION (JP) 1996-08-13 US disclosed
US-5430195-A Diamino compounds and liquid crystal aligning films CHISSO CORPORATION (JP) 1995-07-04 US disclosed
US-5414126-A Diamino compounds and liquid crystal aligning films CHISSO CORPORATION (JP) 1995-05-09 US disclosed