SCHEMBL28940294

SCHEMBL28940294

CCCCCN.CCCN(C)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX1 P07099 1/20 0.43
KDM5A P29375 3/20 0.39
KDM4C Q9H3R0 3/20 0.39
KDM5C P41229 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
CHRM2 P08172 1/20 0.39
AKR1B1 P15121 1/20 0.39
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
BHMT Q93088 1/20 0.38
PHF8 Q9UPP1 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
PPARG P37231 1/20 0.38

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
Tetradecylamine SCHEMBL29594380 0.91 CHRM2 (0.52) DNM1ALDH1A1TSHRMEN1KMT2A
SCHEMBL24112603 0.84 CHRM2 (0.56) ALDH1A1TSHRMEN1KMT2AKDM5A
SCHEMBL3359503 0.84
Octadecylamine SCHEMBL28844259 0.82 EPHX2 (0.54) KMT2APPARGPPARDPPARA
Ammonia Solution, Strong SCHEMBL27395832 0.82 CHRM2 (0.54) ALDH1A1TSHRMEN1KMT2AKDM5A
SCHEMBL168312 0.82 KDM4C (0.53) ALDH1A1TSHRMEN1KMT2AKDM5A
SCHEMBL3384214 0.82 CHRM2 (0.46) ALDH1A1TSHRMEN1KMT2AKDM5A
Hydrochloric Acid SCHEMBL23453830 0.82 KDM4C (0.43) TSHRKDM5AKDM4CKDM5CKDM5B
SCHEMBL2802094 0.80 KDM4C (0.51) ALDH1A1TSHRMEN1KMT2AKDM5A
SCHEMBL1272817 0.80 KDM4C (0.54) ALDH1A1TSHRMEN1KMT2AKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114423286-A Agrochemical formulations containing sulfopolymers 伊士曼化工公司 2022-04-29 CN disclosed