SCHEMBL29329243

SCHEMBL29329243

CCCCOc1ccc2c(ccc3c(F)c(OCC)ccc32)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 8/20 0.46
TDP1 Q9NUW8 4/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 2/20 0.44
GAA P10253 1/20 0.39
MAPT P10636 5/20 0.38
ALDH1A1 P00352 5/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 2/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GLA P06280 1/20 0.36
CYP19A1 P11511 1/20 0.36
NQO1 P15559 1/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL7881714 0.93 L3MBTL1 (0.47) L3MBTL1TDP1CYP1A2CYP2C19CYP2D6
SCHEMBL15120819 0.91 L3MBTL1 (0.53) L3MBTL1TDP1CYP1A2CYP2C19CYP2D6
SCHEMBL27491981 0.89 CYP1A2 (0.44) L3MBTL1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL27491616 0.89 CYP1A2 (0.44) L3MBTL1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL7879387 0.89 CYP1A2 (0.44) L3MBTL1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL8904958 0.89 CYP1A2 (0.44) L3MBTL1TDP1CYP1A2CYP2C19CYP2C9
SCHEMBL8930879 0.87 THRA (0.42) L3MBTL1CYP1A2CYP2C19CYP2C9MAPT
SCHEMBL5620877 0.87 THRA (0.42) L3MBTL1CYP1A2CYP2C19CYP2C9MAPT
SCHEMBL8902785 0.87 THRA (0.42) L3MBTL1CYP1A2CYP2C19CYP2C9MAPT
SCHEMBL8910445 0.87 THRA (0.42) L3MBTL1CYP1A2CYP2C19CYP2C9MAPT

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-4400561-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2024-07-17 EP disclosed