SCHEMBL31662489

SCHEMBL31662489

COC(=O)c1cc(Oc2ccc(OCCCCl)cc2F)n2cncc2c1.COC(=O)c1cc(Oc2ccc(OCCCCl)cc2F)n2cncc2c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
FFAR1 O14842 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
POLB P06746 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
RAB9A P51151 1/20 0.32
TTR P02766 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.32
KCNH2 Q12809 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FAAH O00519 1/20 0.31

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
SCHEMBL31662594 0.87 MAPT (0.45) MAPTRAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL31662198 0.84 CYP1A2 (0.35) MAPTPOLBACACBACACACYP1A2
SCHEMBL31662396 0.82 POLB (0.38) POLBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL31662644 0.77 PPARG (0.33) FFAR1PPARGPOLBTTR
SCHEMBL31661946 0.76 HRH3 (0.32)
SCHEMBL31662459 0.75 TBXAS1 (0.40) POLBCYP3A4CYP2C9TDP1L3MBTL1
SCHEMBL31662366 0.74 CA1 (0.42) MAPTPOLBRAB9ACYP1A2CYP3A4
SCHEMBL31661915 0.74 CCNC (0.41) FFAR1POLBLMNA
SCHEMBL31662170 0.73 CYP11B2 (0.38) MAPTPOLB
SCHEMBL31662321 0.73 ESR2 (0.39) MAPTRAB9ACYP1A2CYP3A4CYP2C9

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-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed