SCHEMBL9407196

SCHEMBL9407196

COc1c[c]ccc1OC.[c]1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.42
CA2 P00918 6/20 0.42
CA7 P43166 5/20 0.42
CA9 Q16790 5/20 0.42
CA12 O43570 4/20 0.42
CA14 Q9ULX7 4/20 0.42
CA4 P22748 3/20 0.42
ALDH1A1 P00352 4/20 0.34
HTT P42858 3/20 0.34
MAPK1 P28482 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 2/20 0.31
TP53 P04637 2/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL8674 0.89 CA2 (0.46) CA1CA2CA7CA9CA12
SCHEMBL27494520 0.87 CA2 (0.43) CA1CA2CA7CA9CA12
SCHEMBL2138768 0.87 CA2 (0.43) CA1CA2CA7CA9CA12
SCHEMBL28251730 0.87 CA2 (0.43) CA1CA2CA7CA9CA12
SCHEMBL27638880 0.81 CA2 (0.39) CA1CA2CA7CA9CA12
SCHEMBL27879858 0.79 CA2 (0.37) CA1CA2CA7CA9CA12
SCHEMBL5448722 0.79 ALDH1A1 (0.53) CA1CA2CA7CA9CA12
SCHEMBL6305394 0.79 ALDH1A1 (0.53) CA1CA2CA7CA9CA12
SCHEMBL182637 0.74 HTR1A (0.53) ALDH1A1HTTMAPK1L3MBTL1SMN1; SMN2
SCHEMBL339374 0.74 HTR1A (0.53) MAPK1L3MBTL1SMN1; SMN2CYP1A2KMT2A

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
EP-0315193-B1 Optically active compound and chiral liquid crystal composition containing the same NIPPON TELEGRAPH & TELEPHONE (JP) 1994-04-06 EP disclosed
US-5059345-A Spontaneous polarization in wide temperature range and high speed response NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1991-10-22 US disclosed
EP-0315193-A2 Optically active compound and chiral liquid crystal composition containing the same NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1989-05-10 EP disclosed