SCHEMBL8677371

SCHEMBL8677371

C=CCNC(=O)c1cccc(-c2ccc(C(=O)O)c(C(=O)O)c2)c1C(=O)NCC=C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
HPGD P15428 7/20 0.47
ALDH1A1 P00352 5/20 0.47
CYP1A2 P05177 2/20 0.46
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
P2RX7 Q99572 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
SCHEMBL9778247 0.84 HPGD (0.59) ALOX15HPGDALDH1A1CYP1A2MAPT
SCHEMBL11387797 0.81 HPGD (0.55) ALOX15HPGDALDH1A1CYP1A2MAPT
SCHEMBL5885064 0.77 HPGD (0.68) ALOX15HPGDALDH1A1CYP1A2MAPT
SCHEMBL17361200 0.74 PTPN11 (0.49) ALOX15HPGD
SCHEMBL87895 0.74 CDC25B (0.49) ALOX15ALDH1A1POLBKMT2AKDM4E
SCHEMBL8517092 0.73 HPGD (0.62) ALOX15HPGDALDH1A1CYP1A2MAPT
Pyromellitic Acid SCHEMBL15228126 0.72 CDC25B (0.47) ALOX15ALDH1A1POLBKMT2AKDM4E
Water SCHEMBL6403598 0.72 CDC25B (0.47) ALOX15ALDH1A1POLBKMT2AKDM4E
Water SCHEMBL9437059 0.72 CDC25B (0.47) ALOX15ALDH1A1POLBKMT2AKDM4E
SCHEMBL9240427 0.72 CDC25B (0.47) ALOX15ALDH1A1KMT2AKDM4E

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-5760165-A CURABLE ALLYL POLYMERS; HEAT RESISTANCE, STABILITY; ADHESIVES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (CSIRO) (AU) 1998-06-02 US disclosed