SCHEMBL23633166

SCHEMBL23633166

O=[C]OC(Cc1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
ATM Q13315 1/20 0.37
SLC6A2 P23975 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
FDPS P14324 1/20 0.36
KIF11 P52732 2/20 0.36
KCNA5 P22460 1/20 0.35
CYP3A4 P08684 1/20 0.35
RECQL P46063 1/20 0.35
CYP2D6 P10635 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
PTPN1 P18031 1/20 0.33
TSHR P16473 1/20 0.32
CETP P11597 2/20 0.32

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
SCHEMBL136136 0.78 LMNA (0.38) CYP2C19HIF1ATAAR1KIF11LMNA
SCHEMBL5422612 0.78 TAAR1 (0.47) CYP1A2CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL7001871 0.77 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL95876 0.74 SLC6A2 (0.47) CYP1A2CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL765190 0.74 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL11248544 0.74 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL9614595 0.74 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL5145585 0.74 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL238218 0.74 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL11122216 0.73 FDPS (0.44) CYP1A2CYP2C9CYP2C19SMN1; SMN2HIF1A

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
WO-2021140837-A1 FLUORORUBBER COMPOSITION NOK株式会社 2021-07-15 WO disclosed