SCHEMBL22627239

SCHEMBL22627239

CCS(CC)(CC)CCCOCC1CO1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.63
TSHR P16473 2/20 0.61
ALDH1A1 P00352 6/20 0.59
TDP1 Q9NUW8 1/20 0.59
MAPK1 P28482 1/20 0.41
PDK1 Q15118 1/20 0.32
PKM P14618 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 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
SCHEMBL24737124 0.81 TSHR (0.61) SMN1; SMN2TSHRALDH1A1TDP1MAPK1
SCHEMBL18942402 0.81 TSHR (0.65) SMN1; SMN2TSHRALDH1A1TDP1MAPK1
SCHEMBL2632267 0.78
SCHEMBL7969662 0.78
SCHEMBL29089 0.78
SCHEMBL18121990 0.78 TSHR (0.61) SMN1; SMN2TSHRALDH1A1TDP1MAPK1
SCHEMBL21297522 0.78 TSHR (0.61) SMN1; SMN2TSHRALDH1A1TDP1MAPK1
SCHEMBL24465362 0.78 TSHR (0.61) SMN1; SMN2TSHRALDH1A1TDP1MAPK1
SCHEMBL28966011 0.78 TSHR (0.61) SMN1; SMN2TSHRALDH1A1TDP1MAPK1
SCHEMBL24547426 0.77 TSHR (0.90) SMN1; SMN2TSHRALDH1A1TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11253846-B2 Metal complexes for depositing films and method of making and using the same THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2022-02-22 US disclosed
WO-2021183669-A1 METHODS FOR CATALYTIC HYDROSILYLATION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-09-16 WO disclosed
US-20200346197-A1 METAL COMPLEXES FOR DEPOSITING FILMS AND METHOD OF MAKING AND USING THE SAME NATIONAL SCIENCE FOUNDATION 2020-11-05 US disclosed