SCHEMBL8556271

SCHEMBL8556271

CCCCCCC1Cc2ccc(-c3ccc(O)cn3)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
STAT3 P40763 1/20 0.47
ATM Q13315 1/20 0.47
FYN P06241 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C8 P10632 2/20 0.38
S1PR3 Q99500 2/20 0.38
GRIA2 P42262 4/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
DEGS1 O15121 1/20 0.36
CYP19A1 P11511 1/20 0.35
CYP11B2 P19099 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 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
SCHEMBL8553264 0.86 CYP3A4 (0.38) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL8551722 0.85 FYN (0.40) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL8542748 0.85 FYN (0.40) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL8553142 0.85 RAB9A (0.55) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL8552877 0.84 KDM4E (0.48) RAB9AMAPTCYP3A4GRIA2CYP2D6
SCHEMBL8556156 0.83 CYP3A4 (0.40) MAPTFYNCYP3A4CYP2C8S1PR3
SCHEMBL8552673 0.83 CYP3A4 (0.40) MAPTFYNCYP3A4CYP2C8S1PR3
SCHEMBL8555744 0.83 HPGDS (0.43) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL8552658 0.83 KDM4E (0.56) NPC1RAB9ASMN1; SMN2MAPTSTAT3
SCHEMBL8555083 0.82 NPC1 (0.40) NPC1RAB9ASMN1; SMN2CYP3A4CYP2C8

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-0546338-B1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KK (JP) 1998-02-04 EP disclosed
US-5385692-A Improved response CANON KABUSHIKI KAISHA (JP) 1995-01-31 US disclosed
EP-0546338-A1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1993-06-16 EP disclosed