SCHEMBL9623942

SCHEMBL9623942

COc1cnccc1P(c1cccc(OC(C)(C)C)c1)c1cccc(OC(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HPGD P15428 1/20 0.35
RPS6KA3 P51812 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
MGAT2 Q10469 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
GAA P10253 2/20 0.32
MAPK1 P28482 1/20 0.32
MAOA P21397 2/20 0.31
PDE4B Q07343 1/20 0.31
MAPT P10636 2/20 0.31
ATM Q13315 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
SCHEMBL9624576 0.88 RPS6KA3 (0.40) DYRK1AALDH1A1RPS6KA3SLC22A12MGAT2
SCHEMBL9624247 0.83 KIF11 (0.31) MEN1KMT2AALDH1A1KDM4ENPSR1
SCHEMBL9623614 0.79 PDE4B (0.40) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL9623409 0.77 CYP3A4 (0.37) MEN1KMT2AKDM4ESLC22A12CA12
SCHEMBL9624069 0.76 MEN1 (0.36) DYRK1AMEN1KMT2AALDH1A1KDM4E
SCHEMBL9857514 0.75 HPGD (0.38) DYRK1AMEN1KMT2AALDH1A1KDM4E
SCHEMBL2235524 0.75 KIF11 (0.40) MEN1KMT2AALDH1A1KDM4ENPSR1
SCHEMBL9624174 0.74 CYP3A4 (0.37) MEN1KMT2AALDH1A1KDM4ENPSR1
SCHEMBL9624187 0.73 RPS6KA3 (0.42) DYRK1AALDH1A1RPS6KA3SLC22A12MGAT2
SCHEMBL9623888 0.71 RIPK1 (0.35) MEN1KMT2AALDH1A1KDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0307026-B1 PROCESS FOR THE PREPARATION OF A BUTENE SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-03-18 EP disclosed
EP-0282142-B1 PROCESS FOR THE CARBONYLATION OF OLEFINICALLY UNSATURATED COMPOUNDS WITH A PALLADIUM CATALYST SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-09-11 EP disclosed
EP-0307026-A1 Process for the preparation of a butene SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-03-15 EP disclosed
US-4786443-A Process for the carbonylation of olefinically unsaturated compounds with a palladium catalyst SHELL OIL COMPANY (US) 1988-11-22 US disclosed
EP-0282142-A1 Process for the carbonylation of olefinically unsaturated compounds with a palladium catalyst SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-09-14 EP disclosed