SCHEMBL8725374

SCHEMBL8725374

C=C[C@H]1CC[C@H](c2ccc(-c3ccc(-c4ccc(COCCCCC)cc4)cc3)cc2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.36
RARA P10276 2/20 0.36
GBA1 P04062 10/20 0.36
UGCG Q16739 10/20 0.36
GBA2 Q9HCG7 10/20 0.36
RARG P13631 1/20 0.34
CNR2 P34972 2/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
NAAA Q02083 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CNR1 P21554 1/20 0.30
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 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
SCHEMBL8725066 0.94 GBA1 (0.33) RARBRARAGBA1UGCGGBA2
SCHEMBL8730389 0.91 KDM5A (0.36) GBA1UGCGGBA2CNR2KDM5A
SCHEMBL8730387 0.91 KDM5A (0.36) GBA1UGCGGBA2CNR2KDM5A
SCHEMBL8732620 0.86 RARB (0.37) RARBRARAGBA1UGCGGBA2
SCHEMBL8725426 0.83 SPHK1 (0.42) GBA1UGCGGBA2CNR2L3MBTL1
SCHEMBL8732865 0.83 SPHK1 (0.42) GBA1UGCGGBA2CNR2L3MBTL1
SCHEMBL8725430 0.83 SPHK1 (0.42) GBA1UGCGGBA2CNR2L3MBTL1
SCHEMBL8731484 0.82 RARB (0.37) RARBRARAGBA1UGCGGBA2
SCHEMBL8727638 0.82 RARB (0.38) RARBGBA1UGCGGBA2CNR2
SCHEMBL8725582 0.82 SPHK1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882695-A1 BENZYL ETHER DERIVATIVES, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1998-12-09 EP disclosed