SCHEMBL28088231

SCHEMBL28088231

OCC(O)CONC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 1/20 0.36
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
EPHX1 P07099 1/20 0.33
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PABPC1 P11940 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
SCHEMBL18629040 0.75 EPHX1 (0.40) KDM4ESMN1; SMN2HTTEPHX1ALDH1A1
SCHEMBL12892561 0.70 KDM4E (0.55) KDM4ESMN1; SMN2HTTLMNA
SCHEMBL9132499 0.69 KDM4E (0.45) KDM4ESMN1; SMN2HTTLMNAMAPT
SCHEMBL3815044 0.69 KDM4E (0.45) KDM4ESMN1; SMN2HTTLMNAMAPT
SCHEMBL3535515 0.69 KDM4E (0.79) KDM4ESMN1; SMN2HTTLMNA
SCHEMBL16822348 0.69 KDM4E (0.79) KDM4ESMN1; SMN2HTTLMNA
SCHEMBL8053083 0.69 PGD (0.38) KDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9280697 0.69 PGD (0.38) KDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL21402639 0.69 TP53 (0.36) KDM4ETP53SMN1; SMN2GMNNLMNA
Water SCHEMBL29022494 0.68 KDM4E (0.44) KDM4ESMN1; SMN2HTTLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105001880-B Aligning agent for liquid crystal and liquid crystal display element JSR株式会社 2018-06-15 CN disclosed
CN-103289712-B Crystal aligning agent, liquid crystal orienting film and liquid crystal display cells JSR株式会社 2016-08-24 CN disclosed