SCHEMBL9879489

SCHEMBL9879489

C=CCC1(N)OC(=O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.46
GOPC Q9HD26 1/20 0.46
POLB P06746 3/20 0.45
LMNA P02545 4/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
GPR55 Q9Y2T6 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ESR1 P03372 1/20 0.41
TP53 P04637 1/20 0.41
TYMS P04818 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ESR2 Q92731 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 4/20 0.40

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
SCHEMBL9280377 0.79 CFTR (0.49) CFTRGOPCPOLBLMNAMAPT
SCHEMBL4591907 0.77 CFTR (0.46) CFTRGOPCPOLBLMNAMAPT
SCHEMBL11617825 0.75 SMN1; SMN2 (0.45) CFTRGOPCPOLBLMNAMAPT
SCHEMBL28552047 0.73 ATM (0.44) CFTRGOPCPOLBLMNAMAPT
SCHEMBL11249029 0.72 CFTR (0.55) CFTRGOPCPOLBLMNAMAPT
SCHEMBL830872 0.71 PGR (0.37) POLBLMNAMAPTSMN1; SMN2MEN1
SCHEMBL28709016 0.70 NPSR1 (0.51) CFTRGOPCPOLBMAPTSMN1; SMN2
SCHEMBL29807800 0.69 CFTR (0.48) CFTRGOPCPOLBLMNAMAPT
SCHEMBL1729415 0.69 CFTR (0.48) CFTRGOPCPOLBLMNAMAPT
SCHEMBL2594088 0.68 PGR (0.51) LMNAMEN1KMT2AALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112194388-A Flame-retardant glass fiber and preparation method thereof 罗静婷 2021-01-08 CN claimed
CN-110607579-A Green and environment-friendly oil agent for nylon fiber weaving and preparation method thereof 如皋市雨润纤维科技有限公司 2019-12-24 CN disclosed
US-5039686-A Insecticides SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1991-08-13 US disclosed
EP-0369526-A2 Nitromethylene compounds, their preparation and their use as pesticides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-05-23 EP disclosed