SCHEMBL8969959

SCHEMBL8969959

CCCCCCCCOc1ccc(OC(=O)C2(O)C=CC(c3ccccc3)=CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.47
RARB P10826 3/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
PLA2G4B P0C869 1/20 0.43
NFKB1 P19838 3/20 0.41
NFKB2 Q00653 3/20 0.41
RELA Q04206 3/20 0.41
NPC1 O15118 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LTA4H P09960 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40

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
SCHEMBL9852431 0.86 TSHR (0.43) TP53TSHRLMNAPOLB
SCHEMBL27760470 0.81 GAA (0.40) NPC1LMNASMN1; SMN2LTA4HMAPT
SCHEMBL10448680 0.80 RARB (0.47) RARBTP53TSHRPLA2G4BNFKB1
SCHEMBL10440651 0.79 FAAH (0.39) FAAHRARBTP53TSHRPLA2G4B
SCHEMBL10445848 0.77 NR5A1 (0.41) RARBTP53TSHRPLA2G4BLTA4H
SCHEMBL10580808 0.77 FAAH (0.38) FAAHRARBTP53TSHRPLA2G4B
SCHEMBL3623072 0.76 OPRM1 (0.40) TSHRNPC1LMNASMN1; SMN2MAPT
SCHEMBL27760477 0.75 EPHX1 (0.35) SMN1; SMN2POLBMAPT
SCHEMBL8374321 0.75 RARB (0.49) RARBTP53TSHRPLA2G4B
SCHEMBL8970782 0.74 MEN1 (0.38) TSHRNPC1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0376294-B1 Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions HITACHI LTD (JP) 1996-03-13 EP disclosed
US-5370821-A Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US disclosed
US-5269965-A Optically active compounds, liquid crystal compositions comprising said compounds and liquid crystal optical modulators using said compositions TAKEDA CHEMICAL INDUSTRIES (JP) 1993-12-14 US disclosed
EP-0388960-A1 Optically active compounds and their preparation and use HITACHI, LTD. (JP) 1990-09-26 EP disclosed
EP-0376294-A1 Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions HITACHI, LTD. (JP) 1990-07-04 EP disclosed