SCHEMBL29860018

SCHEMBL29860018

CCCCc1cc2ccccc2c(Oc2c(-c3ccccc3)c(CCCC)cc3ccccc23)c1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.65
ESR2 Q92731 8/20 0.65
TLR8 Q9NR97 2/20 0.41
ABCB11 O95342 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SCN3A Q9NY46 1/20 0.40
ADORA3 P0DMS8 2/20 0.38
ADORA1 P30542 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
CNR2 P34972 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL9221329 1.00 ESR1 (0.65) ESR1ESR2TLR8ABCB11LMNA
SCHEMBL3181197 0.85 ESR1 (0.76) ESR1ESR2TDP1MAPT
SCHEMBL28285485 0.81 ESR1 (0.49) ESR1ESR2TLR8ADORA3ADORA1
SCHEMBL3168425 0.81 ESR1 (0.52) ESR1ESR2TLR8GPR84MAPT
SCHEMBL3168104 0.81 ESR1 (1.00) ESR1ESR2
SCHEMBL3168086 0.81 ESR1 (1.00) ESR1ESR2
SCHEMBL3170191 0.77 ESR1 (0.76) ESR1ESR2TDP1ADORA3CNR2
SCHEMBL30576683 0.77 ESR1 (0.42) ESR1ESR2TLR8TDP1ADORA3
SCHEMBL9221317 0.77 PSMB5 (0.45) ESR1ESR2ABCB11LMNACYP1A2
SCHEMBL27805074 0.77 ESR1 (0.50) ESR1ESR2TLR8ADORA3ADORA1

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-2022172934-A1 NAPHTHYL PHENYL ETHER COMPOUND AND LUBRICANT COMPOSITION CONTAINING SAME 株式会社MORESCO 2022-08-18 WO disclosed