SCHEMBL5021020

SCHEMBL5021020

OCCN(CCO)c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.48
CNR2 P34972 1/20 0.43
IDH1 O75874 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
PLA2G10 O15496 1/20 0.41
PLA2G2A P14555 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
SLC22A2 O15244 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
LTA4H P09960 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40

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
SCHEMBL2759026 0.92 ALDH1A1 (0.46) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL15315297 0.84 ALDH1A1 (0.40) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL78451 0.83 KDM4E (0.46) MAPTMEN1KMT2ATDP1CYP2C19
SCHEMBL2759018 0.82 AOC3 (0.40) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL16133807 0.82 AOC3 (0.40) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL2759055 0.82 ALDH1A1 (0.43) CNR2MAPTMEN1KMT2ATDP1
SCHEMBL20198859 0.82 ALDH1A1 (0.65) CNR2MAPTTDP1ALDH1A1TSHR
SCHEMBL2759039 0.82 KMT2A (0.50) CNR2MAPTMEN1KMT2ATDP1
SCHEMBL8724168 0.82 SRD5A2 (0.49) MAPTMEN1KMT2ATDP1PLA2G10
Hydrochloric Acid SCHEMBL28957289 0.81 KDM4E (0.48) MAPTMEN1KMT2ATDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9994786-B2 Polyester dispersants, synthesis and use thereof CHEVRON ORONITE COMPANY LLC (US) 2018-06-12 US disclosed
US-20180016514-A1 POLYESTER DISPERSANTS, SYNTHESIS AND USE THEREOF CHEVRON ORONITE COMPANY LLC 2018-01-18 US disclosed
WO-2012062332-A2 NOVEL PHOTOINITIATORS COLOPLAST A/S (DK) 2012-05-18 WO disclosed
WO-2012062333-A1 NOVEL POLYMERIC PHOTOINITIATORS COLOPLAST A/S (DK) 2012-05-18 WO disclosed