SCHEMBL5862298

SCHEMBL5862298

O=CCCCCc1c(O)ccc(C=O)c1O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.44
ERN1 O75460 7/20 0.39
HIF1A Q16665 1/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
HSP90AA1 P07900 1/20 0.32
IDO1 P14902 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP19A1 P11511 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
SCHEMBL5861264 0.95 CDK1 (0.41) CDK1ERN1HIF1ATRIM24TRIM33
SCHEMBL23829701 0.81 HPGD (0.42) CDK1ERN1KDM4ENPC1RAB9A
SCHEMBL3881959 0.77 CYSLTR2 (0.43) CDK1ERN1TRIM24TRIM33
SCHEMBL31580550 0.77 CYP19A1 (0.42) CDK1HIF1AKDM4ENPC1RAB9A
SCHEMBL16095211 0.73 ERN1 (0.45) CDK1ERN1TRIM24TRIM33
SCHEMBL3564545 0.72 CYP19A1 (0.52) MEN1KMT2ACYP19A1
SCHEMBL31580299 0.71 HIF1A (0.42) CDK1HIF1AKDM4ENPC1RAB9A
SCHEMBL5861293 0.71 HIF1A (0.42) ERN1HIF1ATRIM24TRIM33KDM4E
SCHEMBL3957273 0.70 SRD5A1 (0.45) CDK1ERN1TRIM24TRIM33KDM4E
SCHEMBL10696024 0.70 ERN1 (0.36) CDK1ERN1HIF1A

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-7074861-B2 Modified resorcinol resins and applications thereof INDSPEC CHEMICAL CORPORATION (US) 2006-07-11 US disclosed
US-20040162391-A1 Modified resorcinol resins and applications thereof INDSPEC CHEMICAL CORPORATION (US) 2004-08-19 US disclosed