SCHEMBL30428461

SCHEMBL30428461

O=C(O)CCCCc1ccc(F)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
HDAC3 O15379 1/20 0.48
MAPK1 P28482 1/20 0.48
ADRA1A P35348 1/20 0.48
HDAC4 P56524 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HDAC1 Q13547 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48

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
SCHEMBL10277036 0.98 MAPT (0.58) MAPTRXFP1CYP1A2CYP2D6CYP2C19
SCHEMBL6954266 0.95 CYP1A2 (0.57) MAPTRXFP1CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL7358774 0.93 CYP1A2 (0.56) MAPTRXFP1CYP1A2CYP2D6CYP2C19
SCHEMBL16582462 0.87 RARB (0.50) MAPTRXFP1CYP1A2CYP2D6CYP2C19
SCHEMBL586063 0.87 FFAR1 (0.58) FFAR1FFAR4
SCHEMBL18118884 0.85 RARB (0.58) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL14059359 0.85 MAPT (0.50) MAPTRXFP1CYP1A2CYP2D6CYP2C19
SCHEMBL4552728 0.85 MAPT (0.54) MAPTRXFP1CYP1A2HDAC3MAPK1
SCHEMBL19391260 0.84 MPO (0.41) MAPTRXFP1HDAC1HDAC8
SCHEMBL17847914 0.83 MAPT (0.53) MAPTRXFP1CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116209433-B Small molecule albumin binding agents 俄勒冈健康科学大学 2025-05-23 CN disclosed
CN-116209433-A Small molecule albumin binding agents 俄勒冈健康科学大学 2023-06-02 CN disclosed