SCHEMBL19084602

SCHEMBL19084602

CC(C)Oc1ccc(Sc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.49
PTGIR P43119 2/20 0.43
PTPN5 P54829 1/20 0.41
ALDH1A3 P47895 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
PTGES O14684 2/20 0.40
KMT2A Q03164 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
PARP10 Q53GL7 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL18635773 0.91 RAB9A (0.45) NR1H4PTGIRPTPN5ALDH1A3NPC1
SCHEMBL799946 0.88 NR1H4 (0.57) NR1H4PTPN5ALDH1A3NPC1ALDH1A1
SCHEMBL23917765 0.86 PTGIR (0.51) PTGIRALDH1A3ALDH1A1HPGDKMT2A
SCHEMBL17404857 0.82 PTPN5 (0.56) NR1H4PTPN5ALDH1A3NPC1ALDH1A1
SCHEMBL13283362 0.82 NR1H4 (0.53) NR1H4PTPN5ALDH1A3NPC1ALDH1A1
SCHEMBL2271509 0.79 TSHR (0.52) PTGIRNPC1ALDH1A1MAPTHPGD
SCHEMBL23917965 0.79 PTGIR (0.50) PTGIRALDH1A3ALDH1A1MAPK1KMT2A
SCHEMBL20837008 0.78 RAB9A (0.53) NR1H4PTPN5ALDH1A3NPC1ALDH1A1
SCHEMBL21105271 0.78 NR1H4 (0.49) NR1H4PTPN5ALDH1A3NPC1ALDH1A1
SCHEMBL24863566 0.77 RAB9A (0.53) PTGIRNPC1ALDH1A1MAPTHPGD

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
EP-3858927-A1 INK COMPOSITION Nissan Chemical Corporation (JP) 2021-08-04 EP disclosed
EP-3405534-B1 NON-AQUEOUS INK COMPOSITIONS CONTAINING TRANSITION METAL COMPLEXES, AND USES THEREOF IN ORGANIC ELECTRONICS NISSAN CHEMICAL CORP (JP) 2020-10-14 EP disclosed
WO-2017126677-A1 NON-AQUEOUS INK COMPOSITIONS CONTAINING TRANSITION METAL COMPLEXES, AND USES THEREOF IN ORGANIC ELECTRONICS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-07-27 WO disclosed
WO-2017115467-A1 NANOPARTICLE-CONDUCTING POLYMER COMPOSITE FOR USE IN ORGANIC ELECTRONICS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-07-06 WO disclosed