SCHEMBL22980376

SCHEMBL22980376

CC1=C(NI)CCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL14017876 0.72 GAA (0.36) GAAPDE3BPDE3ALMNAHTT
SCHEMBL19857363 0.72 BAZ2B (0.42) GAAPDE3BPDE3AHTTTSHR
SCHEMBL17910054 0.69 SMN1; SMN2 (0.57) GAAPDE3BPDE3ALMNAHTT
SCHEMBL17826992 0.68 TRIM24 (0.41) GAASMN1; SMN2TSHRMEN1KMT2A
SCHEMBL1396725 0.67
SCHEMBL16539713 0.66 LMNA (0.55) PDE3BPDE3ALMNAHTTSMN1; SMN2
SCHEMBL18542552 0.65
SCHEMBL14463094 0.64
SCHEMBL1176138 0.64
SCHEMBL3131723 0.64

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
EP-4010311-A1 POLYISOCYANATE AND PROCESS FOR PREPARING THE SAME Covestro Intellectual Property GmbH & Co. KG (DE) 2022-06-15 EP disclosed
WO-2021028300-A1 POLYISOCYANATE AND PROCESS FOR PREPARING THE SAME COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2021-02-18 WO disclosed