SCHEMBL9469683

SCHEMBL9469683

O=C1C(c2ccccc2)=C(c2ccccc2)CCC1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
KMT2A Q03164 3/20 0.42
CFTR P13569 2/20 0.41
GOPC Q9HD26 2/20 0.41
PTGS1 P23219 3/20 0.40
CYP19A1 P11511 2/20 0.40
PTGS2 P35354 2/20 0.40
CTRB1 P17538 1/20 0.40
PDGFRA P16234 1/20 0.35
PRKACA P17612 1/20 0.35
KDR P35968 1/20 0.35
CDK8 P49336 1/20 0.35
CDK9 P50750 1/20 0.35
ROCK1 Q13464 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
TSHR P16473 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL27708579 0.74 DDB1 (0.53) DDB1CRBNKMT2ACFTRGOPC
SCHEMBL978197 0.69 PTGS2 (0.68) KMT2ACFTRGOPCPTGS1PTGS2
SCHEMBL13210441 0.69 DDB1 (0.57) DDB1CRBNKMT2ACFTRGOPC
SCHEMBL15874625 0.68 CYP19A1 (0.76) DDB1CRBNCYP19A1LMNA
SCHEMBL20585273 0.68 CYP19A1 (0.76) DDB1CRBNCYP19A1LMNA
SCHEMBL15292027 0.68 CYP19A1 (0.76) DDB1CRBNCYP19A1LMNA
SCHEMBL976923 0.68 DDB1 (0.47) DDB1CRBNKMT2ACFTRGOPC
SCHEMBL4810645 0.68 CYP19A1 (0.76) DDB1CRBNCYP19A1LMNA
SCHEMBL17163859 0.68 CFTR (0.41) KMT2ACFTRGOPCPTGS1PDGFRA
SCHEMBL14880674 0.67 DDB1 (0.46) DDB1CRBNCFTRGOPCCTRB1

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
US-5243016-A Improved solubility, polyimides, polyether ketones, polyesters, polyether sulfones HAY ALLAN S (CA) 1993-09-07 US disclosed
US-5182358-A Polyetherketones, polyethersulfone, polyetherimides, solubility in organic solvents HAY ALLAN S (CA) 1993-01-26 US disclosed