SCHEMBL9280585

SCHEMBL9280585

Cc1ccc(C2CCC(c3ccc(Oc4ccc(N)cc4)cc3)(c3ccc(Oc4ccc(N)cc4)cc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD4 Q15561 1/20 0.53
ALDH1A1 P00352 7/20 0.51
MAPT P10636 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
ACHE P22303 1/20 0.36
MAOA P21397 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SCN5A Q14524 2/20 0.34
SCN9A Q15858 2/20 0.34

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
SCHEMBL14733307 0.92 TEAD4 (0.44) TEAD4ALDH1A1MAPTTDP1POLB
SCHEMBL12158795 0.89 TEAD4 (0.56) TEAD4ALDH1A1MAPTTDP1POLB
SCHEMBL9074468 0.86 TEAD4 (0.38) TEAD4ALDH1A1MAPTTDP1POLB
SCHEMBL9076164 0.86 TEAD4 (0.41) TEAD4ALDH1A1MAPTTDP1POLB
SCHEMBL27773172 0.86 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2L3MBTL1ACHEMAPK1
SCHEMBL9075138 0.86 MAOA (0.49) TEAD4ALDH1A1MAPTTDP1POLB
SCHEMBL9073407 0.85 CYP19A1 (0.39) TEAD4ALDH1A1MAPTTDP1POLB
SCHEMBL9075126 0.84 TEAD4 (0.36) TEAD4ALDH1A1MAPTTDP1POLB
SCHEMBL9073459 0.84 TEAD4 (0.39) TEAD4ALDH1A1MAPTTDP1POLB
SCHEMBL9073223 0.84 ALDH1A1 (0.51) TEAD4ALDH1A1MAPTTDP1POLB

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-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