SCHEMBL8440673

SCHEMBL8440673

C/C(=C/C(=O)O)C(=O)O.C=CO

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.39
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 4/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
PKM P14618 1/20 0.34
PTGS1 P23219 1/20 0.33
AKR1C3 P42330 1/20 0.33
CYP2C9 P11712 1/20 0.33
ATM Q13315 1/20 0.32
TSHR P16473 1/20 0.32

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
Acrylic Acid SCHEMBL11799648 0.90 LMNA (0.53) HTTLMNAALDH1A1KMT2AKDM4E
SCHEMBL28517 0.89
SCHEMBL5894 0.89
SCHEMBL623108 0.89 HTT (0.45) HTTALDH1A1KMT2AKDM4EMAPT
SCHEMBL623803 0.89 HTT (0.45) HTTALDH1A1KMT2AKDM4EMAPT
SCHEMBL6040109 0.89 HTT (0.45) HTTALDH1A1KMT2AKDM4EMAPT
SCHEMBL5893 0.89
SCHEMBL8089680 0.86 HTT (0.43) HTTALDH1A1KMT2AKDM4EMAPT
Ammonia Solution, Strong SCHEMBL16423856 0.86 HTT (0.43) HTTALDH1A1KMT2AKDM4EMAPT
Bromide SCHEMBL8064197 0.86 HTT (0.43) HTTALDH1A1KMT2AKDM4EMAPT

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
US-5879669-A CONTAINING NO ORGANIC SOLVENTS, CATIONIC SURFACTANTS OR CATIONIC POLYMERS; HAVING PH AT WHICH FILM-FORMING POLYMER IS PARTIALLY PRECIPITATED WELLA AKTIENGESELLSCHAFT (DE) 1999-03-09 US disclosed